| 1 | M | 54.9 | Low | 51.7 | Low | 227 Ų | 227 | 125.5 Ų | 125.5 | 100% | 1.118 | 87% | 0.868 | S | S | * | * | | | | 0 | 112.4 | 0 | -73.6 | 155.8 | 168.6 | 0 | 0 | 106 | | |
| 2 | D | 49.6 | Very low | 51.8 | Low | 151 Ų | 151 | 122.1 Ų | 122.1 | 81% | 0.807 | 87% | 0.868 | S | S | * | * | | | trans | 54.2 | 109.9 | 149.2 | -45.3 | -46.9 | 0 | 0 | 0 | 118.5 | | |
| 3 | A | 48.2 | Very low | 51.5 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 86% | 0.858 | S | S | * | * | | | | 77.7 | 100.5 | 78.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 4 | S | 48.5 | Very low | 51.9 | Low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 87% | 0.866 | S | S | * | * | | | | 86 | 116.6 | 87.6 | -67.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 5 | S | 55.7 | Low | 51.9 | Low | 131 Ų | 131 | 124.3 Ų | 124.3 | 92% | 0.916 | 86% | 0.857 | S | S | * | * | | | trans | -173.6 | 143.4 | 137.5 | -82.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 6 | E | 49.7 | Very low | 52 | Low | 193 Ų | 193 | 121.9 Ų | 121.9 | 90% | 0.902 | 86% | 0.859 | S | S | * | * | | | trans | -100.6 | 156.8 | -174.8 | -67.8 | 166 | 61.4 | 0 | 0 | 113.7 | | |
| 7 | S | 54.7 | Low | 52.5 | Low | 125 Ų | 125 | 128.6 Ų | 128.6 | 87% | 0.874 | 86% | 0.86 | S | S | * | * | | | trans | -175.3 | 149.2 | 139.6 | 49 | 0 | 0 | 0 | 0 | 108.3 | | |
| 8 | G | 45.3 | Very low | 52.9 | Low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 86% | 0.864 | S | S | * | * | | | cis | 143.9 | 95.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 9 | G | 54.6 | Low | 53.3 | Low | 82 Ų | 82 | 140.9 Ų | 140.9 | 85% | 0.845 | 87% | 0.867 | S | S | * | * | | | trans | -155.5 | 115.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 10 | A | 54.2 | Low | 53.8 | Low | 108 Ų | 108 | 143.8 Ų | 143.8 | 89% | 0.893 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 142.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 11 | G | 53.2 | Low | 53.9 | Low | 82 Ų | 82 | 140.5 Ų | 140.5 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 133.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 12 | G | 53.5 | Low | 54.4 | Low | 85 Ų | 85 | 139.6 Ų | 139.6 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 13 | G | 47.3 | Very low | 54.5 | Low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 86% | 0.855 | S | S | * | * | | | trans | -101.8 | 175 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 14 | R | 56.6 | Low | 55.3 | Low | 259 Ų | 259 | 139 Ų | 139 | 98% | 0.977 | 86% | 0.863 | S | S | * | * | | | trans | -170.3 | 146.8 | 160.2 | -103 | 158.8 | -157 | -89.7 | 1.7 | 110.2 | | |
| 15 | G | 51.9 | Low | 56.2 | Low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 86% | 0.861 | S | S | * | * | | | trans | 123.9 | 19.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | R17 | G15-R17 PolarHBondContact O-N 3.38Š|
| 16 | G | 54.2 | Low | 56.6 | Low | 86 Ų | 86 | 139.1 Ų | 139.1 | 89% | 0.887 | 86% | 0.855 | S | S | * | * | | | trans | -71.9 | 115.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 17 | R | 60.4 | Low | 57.2 | Low | 235 Ų | 235 | 137.8 Ų | 137.8 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | | | trans | -88.7 | 111.5 | 175.7 | -76.3 | -168.9 | -74.6 | -108.5 | 1.3 | 112.5 | G15 | G15-R17 PolarHBondContact O-N 3.38Š|
| 18 | R | 60.6 | Low | 57.7 | Low | 245 Ų | 245 | 140.1 Ų | 140.1 | 93% | 0.925 | 85% | 0.849 | S | S | * | * | | | trans | -85.1 | 118.2 | 178.7 | -177.7 | -176.1 | -177.2 | -153.1 | 5.1 | 111.7 | | |
| 19 | W | 59.6 | Low | 58.1 | Low | 246 Ų | 246 | 141.6 Ų | 141.6 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | | | trans | -80.7 | 141.1 | 169.8 | -71.9 | 70.3 | 0 | 0 | 0 | 110.8 | | |
| 20 | K | 63.1 | Low | 58.2 | Low | 198 Ų | 198 | 149.8 Ų | 149.8 | 86% | 0.861 | 85% | 0.85 | S | S | * | * | | | trans | -105.9 | 118.4 | -175.9 | -169.3 | 166.8 | -178.6 | 176 | 0 | 110.4 | | |
| 21 | G | 56.8 | Low | 58 | Low | 76 Ų | 76 | 155.3 Ų | 155.3 | 78% | 0.784 | 85% | 0.847 | S | S | * | * | | | trans | -64.8 | 147.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 22 | K | 64.9 | Low | 57.9 | Low | 207 Ų | 207 | 156.9 Ų | 156.9 | 90% | 0.9 | 84% | 0.841 | S | S | * | * | | | trans | -106.2 | 139.1 | 171.3 | -66 | 176.1 | -179.9 | 177.7 | 0 | 108.2 | | |
| 23 | G | 52.6 | Low | 58.1 | Low | 83 Ų | 83 | 161.7 Ų | 161.7 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 154.9 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 24 | V | 63.3 | Low | 57.8 | Low | 141 Ų | 141 | 166.7 Ų | 166.7 | 86% | 0.855 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 130.6 | 163.7 | 172.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 25 | T | 68.3 | Low | 57.8 | Low | 125 Ų | 125 | 159 Ų | 159 | 77% | 0.767 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 129.9 | 174.5 | 42.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 26 | P | 63.9 | Low | 58 | Low | 122 Ų | 122 | 161.3 Ų | 161.3 | 79% | 0.792 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 134 | 172.9 | 32.7 | -31.5 | 0 | 0 | 0 | 111.3 | | |
| 27 | I | 62.7 | Low | 57.8 | Low | 165 Ų | 165 | 163.1 Ų | 163.1 | 85% | 0.846 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -88 | 129.7 | 175.6 | -66.6 | 173.9 | 0 | 0 | 0 | 109.7 | | |
| 28 | Q | 65.2 | Low | 57.2 | Low | 174 Ų | 174 | 159.7 Ų | 159.7 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 141.5 | -179.6 | -72.7 | -96.1 | -1.4 | 0 | 0 | 112.4 | | |
| 29 | P | 52.4 | Low | 56.8 | Low | 113 Ų | 113 | 155.8 Ų | 155.8 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 133.4 | 167.4 | 33.9 | -30.1 | 0 | 0 | 0 | 111.3 | | |
| 30 | R | 57.1 | Low | 56.1 | Low | 254 Ų | 254 | 151.6 Ų | 151.6 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | | | trans | -126.1 | 127.5 | 161.6 | -101.1 | -166.5 | 173.9 | -163.8 | -1.2 | 112.1 | | |
| 31 | R | 49.5 | Very low | 55.5 | Low | 225 Ų | 225 | 145.8 Ų | 145.8 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | | | trans | -93.4 | 162.7 | -174.5 | -180 | 178.9 | 170.8 | 157.4 | -3.3 | 110.5 | | |
| 32 | T | 51.8 | Low | 54.9 | Low | 115 Ų | 115 | 148.3 Ų | 148.3 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | | | trans | 80.6 | 138.7 | 158 | 17.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 33 | Q | 57.2 | Low | 54.3 | Low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | cis | -137.4 | 179.9 | 17.9 | -66 | -157.2 | 37 | 0 | 0 | 114.8 | | |
| 34 | L | 42.2 | Very low | 54.2 | Low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | -98.1 | 149.1 | -173.6 | -62.8 | 160.8 | 0 | 0 | 0 | 113.6 | | |
| 35 | A | 56 | Low | 53.7 | Low | 98 Ų | 98 | 144.7 Ų | 144.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -161.2 | 137.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 36 | P | 55.2 | Low | 53.1 | Low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -119.5 | 177.8 | -172.3 | 43.2 | -34 | 0 | 0 | 0 | 115.6 | | |
| 37 | V | 50.8 | Low | 52.7 | Low | 123 Ų | 123 | 152.2 Ų | 152.2 | 75% | 0.745 | 82% | 0.818 | S | S | * | * | | | trans | 73.9 | 135 | 167.1 | -173.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 38 | M | 48.2 | Very low | 52.5 | Low | 164 Ų | 164 | 150.5 Ų | 150.5 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | | | cis | -148.3 | 176.2 | 36.1 | -146 | 164.3 | -68.5 | 0 | 0 | 112.8 | | |
| 39 | E | 51.5 | Low | 52 | Low | 162 Ų | 162 | 150.7 Ų | 150.7 | 76% | 0.757 | 82% | 0.824 | S | S | * | * | | | trans | -60.4 | 158.7 | 177.3 | -62.2 | 93.9 | 156 | 0 | 0 | 114 | | |
| 40 | D | 45.7 | Very low | 52.4 | Low | 159 Ų | 159 | 154.8 Ų | 154.8 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | | -170.8 | 162.1 | 76 | -150.2 | -9.7 | 0 | 0 | 0 | 116.1 | | |
| 41 | A | 49.1 | Very low | 52.3 | Low | 76 Ų | 76 | 152.3 Ų | 152.3 | 63% | 0.628 | 83% | 0.826 | S | S | * | * | | | trans | 38.5 | 100.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 42 | S | 44.3 | Very low | 52.9 | Low | 129 Ų | 129 | 149.3 Ų | 149.3 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | | 10.5 | 114.2 | 126.5 | -56.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 43 | A | 53.3 | Low | 52.6 | Low | 101 Ų | 101 | 146.6 Ų | 146.6 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -160.1 | 148.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 44 | A | 51 | Low | 52.4 | Low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | 59.2 | 82.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 45 | L | 51.5 | Low | 53.1 | Low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | | 16.5 | 133.9 | 118.2 | -76.2 | 171.8 | 0 | 0 | 0 | 121.2 | | |
| 46 | L | 55.5 | Low | 53.4 | Low | 161 Ų | 161 | 147.1 Ų | 147.1 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | | | trans | 83.7 | 124.3 | 146.3 | -62.3 | 163.7 | 0 | 0 | 0 | 120.1 | | |
| 47 | R | 57.1 | Low | 53 | Low | 244 Ų | 244 | 148.4 Ų | 148.4 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 142.1 | 174.6 | -65.7 | 177.5 | 176 | 135 | -0.5 | 111 | | |
| 48 | P | 58 | Low | 52.9 | Low | 128 Ų | 128 | 152.3 Ų | 152.3 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 145.7 | -174.7 | 33.1 | -35.1 | 0 | 0 | 0 | 114.3 | | |
| 49 | L | 54.7 | Low | 53 | Low | 179 Ų | 179 | 152.3 Ų | 152.3 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85 | 146.7 | 167 | -76.2 | 166.2 | 0 | 0 | 0 | 111.2 | | |
| 50 | K | 59.8 | Low | 52.7 | Low | 199 Ų | 199 | 152.5 Ų | 152.5 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102 | 128.5 | -171.1 | -166.5 | 164.1 | 178.4 | 170.8 | 0 | 111.4 | | |
| 51 | K | 56.4 | Low | 52.7 | Low | 202 Ų | 202 | 156.7 Ų | 156.7 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | | | trans | -127.4 | 133.4 | -175.7 | -175.3 | 178 | -177.1 | 178.1 | 0 | 111.4 | | |
| 52 | I | 60.8 | Low | 52.8 | Low | 161 Ų | 161 | 158 Ų | 158 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -148.6 | 136 | 172.2 | -55.8 | 174.9 | 0 | 0 | 0 | 105.4 | | |
| 53 | G | 45.6 | Very low | 53 | Low | 59 Ų | 59 | 155.7 Ų | 155.7 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | | | cis | 162.9 | 155 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 54 | R | 53.8 | Low | 52.5 | Low | 254 Ų | 254 | 155.9 Ų | 155.9 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | | | trans | 78.1 | 148.8 | 180 | -57.9 | -179.6 | 173.2 | 162 | -1.8 | 116.9 | | |
| 55 | A | 57.2 | Low | 52.1 | Low | 93 Ų | 93 | 156 Ų | 156 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | cis | -164.9 | 165 | -20.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 56 | P | 61.2 | Low | 51.9 | Low | 122 Ų | 122 | 156 Ų | 156 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | trans | -123.3 | 178.6 | -149.1 | 44.3 | -34.4 | 0 | 0 | 0 | 118.3 | | |
| 57 | D | 47.6 | Very low | 51.2 | Low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | 85.8 | 118.7 | 142.6 | -158.4 | 7 | 0 | 0 | 0 | 120.5 | F59 | D57-F59 PolarHBondContact OD1-N 3.43Š|
| 58 | R | 48 | Very low | 50.5 | Low | 204 Ų | 204 | 147.3 Ų | 147.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -157.8 | 106.4 | 137.9 | -158.3 | 147.6 | -160.6 | -170.6 | 3.4 | 115.2 | | |
| 59 | F | 51.1 | Low | 49.8 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | 79.1 | 127.5 | 150.3 | -65.3 | -35.2 | 0 | 0 | 0 | 122.8 | D57 | D57-F59 PolarHBondContact OD1-N 3.43Š|
| 60 | Q | 45.9 | Very low | 49.4 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -79.7 | 157 | 169 | -55.1 | 174.3 | -5 | 0 | 0 | 112.8 | | |
| 61 | R | 45.9 | Very low | 48.6 | Very low | 246 Ų | 246 | 139.3 Ų | 139.3 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | | | | -154.5 | 123.8 | 126.9 | -136.1 | 169.1 | -81.6 | -104.5 | 4.1 | 111.6 | | |
| 62 | S | 49.5 | Very low | 48.1 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -73.1 | 172.3 | 174 | -30.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 63 | A | 49 | Very low | 47.7 | Very low | 80 Ų | 80 | 132 Ų | 132 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | | | cis | -159.4 | 177.2 | 7.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 64 | S | 43.4 | Very low | 48.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 36 | 131.4 | 141.2 | 58.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 65 | S | 43.3 | Very low | 48.5 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | cis | -171.1 | 154 | 21.2 | -99.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 66 | L | 46.6 | Very low | 47.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | 53.4 | 107.9 | 140.7 | -59.5 | 171.3 | 0 | 0 | 0 | 121.3 | | |
| 67 | S | 40.9 | Very low | 47.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | | 89.2 | 129.3 | 117.6 | 69.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 68 | T | 42.4 | Very low | 47.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 92.4 | 134.2 | 142.3 | 12.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 69 | T | 42.3 | Very low | 46.7 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | 65.4 | 104.6 | 153 | 52.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 70 | S | 46.6 | Very low | 46.4 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 90.3 | 140.2 | 116.9 | 77.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 71 | S | 43 | Very low | 46.2 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 84.9 | 143.1 | 142.5 | -154.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 72 | S | 46.5 | Very low | 46.1 | Very low | 115 Ų | 115 | 116.9 Ų | 116.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 79.6 | 122.9 | 161.9 | 66.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 73 | A | 52 | Low | 45.7 | Very low | 95 Ų | 95 | 115.2 Ų | 115.2 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -63.6 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 74 | P | 56.8 | Low | 45.3 | Very low | 116 Ų | 116 | 116 Ų | 116 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -98.2 | 178.6 | -158.2 | 40.7 | -37.3 | 0 | 0 | 0 | 114.1 | | |
| 75 | P | 58.4 | Low | 45.4 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -130.9 | 133.4 | 146 | 35 | -21.7 | 0 | 0 | 0 | 113.9 | | |
| 76 | S | 41 | Very low | 45.3 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -86.4 | -168 | 145.8 | -36.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 77 | P | 53.7 | Low | 45.6 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | | | cis | -126.6 | 177.6 | -33 | 37.3 | -21.9 | 0 | 0 | 0 | 112 | | |
| 78 | R | 41.9 | Very low | 45.8 | Very low | 241 Ų | 241 | 116.3 Ų | 116.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -179.7 | 128 | 150.2 | -104.7 | 157.6 | 165.3 | -117.2 | -3.3 | 108.7 | | |
| 79 | S | 40.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 115.5 Ų | 115.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | cis | 87.3 | 82.4 | 39.1 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 80 | S | 45.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -176.4 | 153 | 148.5 | 38.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 81 | A | 41 | Very low | 45.8 | Very low | 94 Ų | 94 | 117.5 Ų | 117.5 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | cis | 167.4 | 153.2 | -28.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 82 | A | 43.2 | Very low | 46.6 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | 82.9 | 142.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 83 | G | 41.4 | Very low | 46.5 | Very low | 70 Ų | 70 | 117.9 Ų | 117.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 99 | 91.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 84 | A | 40.2 | Very low | 45.8 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | | 48.2 | 126.5 | 71.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 85 | T | 45.5 | Very low | 45.3 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | cis | -161.5 | 147.5 | 39.8 | -32 | 0 | 0 | 0 | 0 | 111.1 | | |
| 86 | S | 42.6 | Very low | 44.5 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -77.3 | 162.8 | 168.3 | -44.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 87 | P | 51.5 | Low | 44.8 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | | -153 | 166.1 | 86.7 | 40.3 | -23.3 | 0 | 0 | 0 | 116.7 | | |
| 88 | A | 45.2 | Very low | 44.3 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 60.7 | 151.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 89 | S | 42.3 | Very low | 44.2 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | cis | -167.8 | -178.6 | -7.8 | 173 | 0 | 0 | 0 | 0 | 107.3 | | |
| 90 | L | 48.9 | Very low | 44.6 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | 87 | 81.7 | 168.3 | -53.4 | 167.4 | 0 | 0 | 0 | 117.2 | | |
| 91 | S | 39.6 | Very low | 44.5 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135.3 | 153.7 | -175 | 0 | 0 | 0 | 0 | 110.6 | | |
| 92 | P | 60.1 | Low | 44.3 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 158 | 156.1 | 31.9 | -31.2 | 0 | 0 | 0 | 110.4 | | |
| 93 | P | 44.6 | Very low | 44.2 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 156.2 | -167.4 | 32.4 | -35.9 | 0 | 0 | 0 | 114.7 | A95 | P93-A95 PolarHBondContact O-N 3Š|
| 94 | S | 38.5 | Very low | 44.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 125.9 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | R96 | S94-R96 PolarHBondContact O-N 3.44Š|
| 95 | A | 46.6 | Very low | 44.7 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | -68.4 | 96.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | P93 | P93-A95 PolarHBondContact O-N 3Š|
| 96 | R | 41 | Very low | 44.7 | Very low | 220 Ų | 220 | 132.1 Ų | 132.1 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | trans | -106.9 | 75.7 | 162.5 | -70.2 | -167.1 | -173.8 | -173.9 | 4.8 | 110.5 | S94 | S94-R96 PolarHBondContact O-N 3.44Š|
| 97 | H | 46.6 | Very low | 44.7 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | | | trans | -124.5 | 81 | 161.6 | -60.2 | -73.2 | 0 | 0 | 0 | 105.7 | | |
| 98 | M | 43.2 | Very low | 44.2 | Very low | 159 Ų | 159 | 131 Ų | 131 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | | 55.5 | 98.9 | 71.3 | -160.5 | 134.8 | 113.6 | 0 | 0 | 110.3 | | |
| 99 | F | 39.7 | Very low | 43.9 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | trans | -52.9 | 132.9 | 179.4 | -67.3 | -85.3 | 0 | 0 | 0 | 111.2 | F101 A102 | F99-F101 HydrophobicContact CB-CD1 4.15Å; F99-F101 HydrophobicContact CB-CD2 4.05Å; F99-F101 HydrophobicContact CB-CE1 3.87Å; F99-F101 HydrophobicContact CB-CE2 3.75Å; F99-F101 HydrophobicContact CB-CG 4.26Å; F99-F101 HydrophobicContact CB-CZ 3.66Å; F99-F101 AromaticContact CD1-CE1 3.66Å; F99-F101 HydrophobicContact CD1-CE1 3.66Å; F99-F101 HydrophobicContact CD1-CE2 4.02Å; F99-F101 AromaticContact CD1-CZ 3.25Å; F99-F101 HydrophobicContact CD1-CZ 3.25Å; F99-F101 AromaticContact CE1-CZ 3.98Å; F99-F101 HydrophobicContact CE1-CZ 3.98Å; F99-F101 HydrophobicContact CG-CE1 4.16Å; F99-F101 AromaticContact CG-CE2 3.95Å; F99-F101 HydrophobicContact CG-CE2 3.95Å; F99-F101 AromaticContact CG-CZ 3.64Å; F99-F101 HydrophobicContact CG-CZ 3.64Å; F99-F101 PolarHBondContact O-N 3.14Å; F99-A102 PolarHBondContact O-N 3.12Å |
| 100 | P | 49.4 | Very low | 43.6 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 30.6 | -178.4 | 33.7 | -37.2 | 0 | 0 | 0 | 113.5 | | |
| 101 | F | 44.3 | Very low | 43.2 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 11.2 | 176.5 | 48.6 | -103.5 | 0 | 0 | 0 | 113.5 | F99 | F99-F101 HydrophobicContact CB-CD1 4.15Å; F99-F101 HydrophobicContact CB-CD2 4.05Å; F99-F101 HydrophobicContact CB-CE1 3.87Å; F99-F101 HydrophobicContact CB-CE2 3.75Å; F99-F101 HydrophobicContact CB-CG 4.26Å; F99-F101 HydrophobicContact CB-CZ 3.66Å; F99-F101 AromaticContact CD1-CE1 3.66Å; F99-F101 HydrophobicContact CD1-CE1 3.66Å; F99-F101 HydrophobicContact CD1-CE2 4.02Å; F99-F101 AromaticContact CD1-CZ 3.25Å; F99-F101 HydrophobicContact CD1-CZ 3.25Å; F99-F101 AromaticContact CE1-CZ 3.98Å; F99-F101 HydrophobicContact CE1-CZ 3.98Å; F99-F101 HydrophobicContact CG-CE1 4.16Å; F99-F101 AromaticContact CG-CE2 3.95Å; F99-F101 HydrophobicContact CG-CE2 3.95Å; F99-F101 AromaticContact CG-CZ 3.64Å; F99-F101 HydrophobicContact CG-CZ 3.64Å; F99-F101 PolarHBondContact O-N 3.14Å |
| 102 | A | 35.9 | Very low | 43.3 | Very low | 72 Ų | 72 | 129 Ų | 129 | 60% | 0.595 | 77% | 0.766 | S | S | * | * | | | trans | -105.9 | 83.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F99 | F99-A102 PolarHBondContact O-N 3.12Š|
| 103 | Y | 42.2 | Very low | 42.7 | Very low | 213 Ų | 213 | 129.7 Ų | 129.7 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | -86.2 | 111.8 | 169.9 | -165.2 | -92.9 | 0 | 0 | 0 | 109.1 | P105 | Y103-P105 HydrophobicContact CE1-CB 4.29Å; Y103-P105 WeakPolarHBondContact O-CD 3.28Å |
| 104 | E | 39.5 | Very low | 42.3 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -89.4 | 120.2 | 169.1 | -174.6 | -152.3 | 147.8 | 0 | 0 | 109 | S106 | E104-S106 PolarHBondContact OE1-OG 2.91Š|
| 105 | P | 52.1 | Low | 42.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | | | trans | -100.5 | 99.7 | 163.5 | 33.4 | -24.7 | 0 | 0 | 0 | 109.7 | Y103 | Y103-P105 HydrophobicContact CE1-CB 4.29Å; Y103-P105 WeakPolarHBondContact O-CD 3.28Å |
| 106 | S | 45 | Very low | 42.2 | Very low | 91 Ų | 91 | 141 Ų | 141 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -64.1 | 139 | 167 | -30.9 | 0 | 0 | 0 | 0 | 109.8 | E104 | E104-S106 PolarHBondContact OE1-OG 2.91Š|
| 107 | A | 41.9 | Very low | 42.5 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -55.7 | 157.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 108 | P | 42.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | cis | -150.7 | -173.7 | 41.7 | 43.8 | -22.6 | 0 | 0 | 0 | 118.2 | | |
| 109 | L | 37.6 | Very low | 43.3 | Very low | 169 Ų | 169 | 133 Ų | 133 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | 71.5 | 99.2 | 161.2 | -64.6 | 162.6 | 0 | 0 | 0 | 119.3 | | |
| 110 | G | 36.5 | Very low | 43.9 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | | 93 | 124.5 | 129.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 111 | G | 40 | Very low | 43.9 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | 96.9 | 92.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 112 | A | 42.4 | Very low | 43.7 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 157.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 113 | P | 47.4 | Very low | 44 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | | -147.9 | 148.9 | 68.1 | 37.4 | -17.5 | 0 | 0 | 0 | 118.4 | | |
| 114 | R | 35.4 | Very low | 44.2 | Very low | 226 Ų | 226 | 137.9 Ų | 137.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | 30.2 | 120.7 | 134.3 | -174.9 | -176.5 | -178.5 | 173.3 | 0.7 | 119.8 | | |
| 115 | L | 43.7 | Very low | 44.7 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -151.8 | 174.6 | 139.4 | -105.9 | 172.9 | 0 | 0 | 0 | 111.3 | | |
| 116 | E | 40.2 | Very low | 43.9 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | | | trans | -112.6 | 155.9 | -145.8 | -169.4 | 176.6 | 136.1 | 0 | 0 | 114.7 | | |
| 117 | L | 47.6 | Very low | 44.1 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | | | trans | -138.2 | 135.3 | 175.5 | -128.8 | 87.2 | 0 | 0 | 0 | 112.3 | | |
| 118 | P | 52.7 | Low | 44.2 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 169.7 | -175.6 | 37.7 | -36.1 | 0 | 0 | 0 | 114.8 | | |
| 119 | P | 53.6 | Low | 44.5 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 161.6 | -169.5 | 37.8 | -36.3 | 0 | 0 | 0 | 115.5 | | |
| 120 | P | 51.6 | Low | 45.1 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 156.6 | 173.7 | 35.4 | -34.3 | 0 | 0 | 0 | 113.7 | | |
| 121 | W | 49.2 | Very low | 45.4 | Very low | 233 Ų | 233 | 141 Ų | 141 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 152.3 | -170 | -72.4 | 57.3 | 0 | 0 | 0 | 114.3 | | |
| 122 | Q | 41.1 | Very low | 45.6 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 164.5 | 161.2 | -61.1 | -176.6 | -3.3 | 0 | 0 | 110.6 | | |
| 123 | H | 41.1 | Very low | 45.9 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | trans | 178.5 | 136.8 | 134.3 | -88.2 | -179.5 | 0 | 0 | 0 | 109.9 | | |
| 124 | S | 47.5 | Very low | 45.8 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -140.9 | 145 | 168.8 | -72.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 125 | P | 49 | Very low | 46.2 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | | | trans | -93.7 | 136.3 | -165.1 | 34.5 | -34.9 | 0 | 0 | 0 | 115.8 | | |
| 126 | S | 37.1 | Very low | 46.2 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | 14.6 | 122.1 | 138.8 | -167 | 0 | 0 | 0 | 0 | 120.8 | | |
| 127 | V | 49 | Very low | 46.5 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -142.2 | 137.8 | 133.8 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 128 | S | 43.6 | Very low | 46.3 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | trans | -96.6 | 153.3 | -170 | -41.8 | 0 | 0 | 0 | 0 | 115 | | |
| 129 | Q | 48.5 | Very low | 46 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -168.2 | 149.9 | 135.9 | -110.1 | 166.7 | 99.8 | 0 | 0 | 113.1 | | |
| 130 | P | 49.4 | Very low | 45.3 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -127.9 | 170.9 | -167.8 | 42.5 | -28 | 0 | 0 | 0 | 117.8 | | |
| 131 | A | 44.3 | Very low | 44.9 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 70.2 | 144.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 132 | S | 43.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | cis | -148.5 | 167.4 | 31.9 | -62.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 133 | P | 48.1 | Very low | 44.6 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | trans | -119.4 | 156.5 | -170.8 | 41.2 | -29.8 | 0 | 0 | 0 | 116.5 | | |
| 134 | Q | 45.6 | Very low | 44.9 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | trans | -175 | 153.2 | 161.6 | -108.6 | -169.6 | -25 | 0 | 0 | 108.3 | | |
| 135 | Q | 43.9 | Very low | 44.9 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | cis | -164.8 | 129 | -9.6 | -153.9 | 176.1 | 20.6 | 0 | 0 | 106.9 | | |
| 136 | Q | 44.2 | Very low | 45 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | | | trans | -150.7 | 141.2 | 159.2 | -148.8 | 169.2 | 14.5 | 0 | 0 | 112.4 | | |
| 137 | Q | 46 | Very low | 45.4 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | -113.2 | 133.9 | -153.6 | -174.1 | 173.4 | 3.9 | 0 | 0 | 112.4 | | |
| 138 | Q | 44.2 | Very low | 45.4 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -43.5 | 139.2 | 166.8 | -64.9 | 165.3 | -6.7 | 0 | 0 | 113.8 | | |
| 139 | Q | 46 | Very low | 45.8 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | | -170.5 | 146 | 100.1 | -100.2 | 153 | 102.9 | 0 | 0 | 113.5 | | |
| 140 | Q | 38.6 | Very low | 45.7 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -90.1 | 153.3 | 171.5 | -63.4 | 163.5 | -28.9 | 0 | 0 | 109.2 | | |
| 141 | A | 42.8 | Very low | 45.5 | Very low | 84 Ų | 84 | 151.4 Ų | 151.4 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | | 164.4 | 159.4 | 102.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 142 | Q | 42.2 | Very low | 45.4 | Very low | 197 Ų | 197 | 153.5 Ų | 153.5 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | 74.3 | 121.3 | 160.2 | -61.7 | 174.2 | 24.5 | 0 | 0 | 119.2 | | |
| 143 | A | 41.4 | Very low | 45.3 | Very low | 94 Ų | 94 | 153.8 Ų | 153.8 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -128.1 | 160 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 144 | P | 47.9 | Very low | 44.9 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | -137.3 | 129.3 | 142.9 | 33 | -18.1 | 0 | 0 | 0 | 115.5 | | |
| 145 | V | 48.4 | Very low | 44.6 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | 49.3 | 113.2 | 120.5 | -169.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 146 | Q | 50.6 | Low | 44.6 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | 162.8 | 145.9 | 135.4 | -91.7 | -176.2 | 31.2 | 0 | 0 | 107.4 | | |
| 147 | R | 45.2 | Very low | 44.7 | Very low | 198 Ų | 198 | 146 Ų | 146 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | cis | -156.8 | 155.8 | 9.4 | -145.9 | -179.9 | 171.5 | 158.4 | -1.1 | 109.7 | | |
| 148 | Q | 49.3 | Very low | 44.9 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 62% | 0.621 | 78% | 0.783 | S | S | * | * | | | trans | 9 | 146.2 | 145.2 | -68.9 | 173.4 | -58.6 | 0 | 0 | 119.9 | | |
| 149 | Q | 51.1 | Low | 44.9 | Very low | 134 Ų | 134 | 143 Ų | 143 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | | | cis | -166 | 142 | 22.7 | -126.2 | 164.2 | 122.3 | 0 | 0 | 113 | | |
| 150 | Q | 48.1 | Very low | 44.5 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | 41.9 | 122.3 | 141.7 | -63.8 | 169.1 | 21.8 | 0 | 0 | 121.9 | | |
| 151 | M | 43.7 | Very low | 44.6 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 96% | 0.956 | 79% | 0.787 | S | S | * | * | | | | -152 | 149.5 | 100.4 | -82.5 | -132.3 | -69.5 | 0 | 0 | 110.1 | | |
| 152 | I | 42.1 | Very low | 44.6 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | trans | -111 | 131 | -162.1 | -66.9 | 147.1 | 0 | 0 | 0 | 111 | F154 | I152-F154 HydrophobicContact CG2-CD2 4.15Å; I152-F154 HydrophobicContact CG2-CE2 3.91Å |
| 153 | S | 42.5 | Very low | 44.5 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -154.7 | 146 | 150.5 | -160.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 154 | F | 39.6 | Very low | 44.7 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | | | trans | -94.8 | 141.6 | -168.8 | -77.7 | -113.9 | 0 | 0 | 0 | 112.2 | I152 | I152-F154 HydrophobicContact CG2-CD2 4.15Å; I152-F154 HydrophobicContact CG2-CE2 3.91Å |
| 155 | G | 38.8 | Very low | 44.6 | Very low | 74 Ų | 74 | 151.9 Ų | 151.9 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | trans | 163.5 | 95.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 156 | A | 44 | Very low | 44.6 | Very low | 100 Ų | 100 | 152.8 Ų | 152.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | 57.8 | 155.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 157 | P | 46.1 | Very low | 44.9 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -106 | 149.6 | -161.8 | 38.7 | -32.9 | 0 | 0 | 0 | 115.7 | | |
| 158 | P | 50.3 | Low | 45.5 | Very low | 114 Ų | 114 | 149 Ų | 149 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -105.1 | 116.6 | 150.3 | 31.5 | -20.2 | 0 | 0 | 0 | 109.6 | | |
| 159 | Q | 44.5 | Very low | 46 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | | 59.1 | 106.8 | 83.3 | -64.2 | -68.2 | -11.6 | 0 | 0 | 112.4 | Q161 | Q159-Q161 PolarHBondContact O-N 3.35Š|
| 160 | Y | 38.3 | Very low | 46.5 | Very low | 241 Ų | 241 | 140.4 Ų | 140.4 | 95% | 0.945 | 77% | 0.768 | S | S | * | * | | | trans | -62.4 | 101.2 | 176.4 | -72.6 | -91 | 0 | 0 | 0 | 110.7 | A162 | Y160-A162 PolarHBondContact O-N 2.98Š|
| 161 | Q | 39.9 | Very low | 47.5 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -86.4 | 104.6 | 168.1 | -73.2 | -171.9 | -12 | 0 | 0 | 109.8 | Q159 Q163 | Q159-Q161 PolarHBondContact O-N 3.35Å; Q161-Q163 PolarHBondContact O-N 3.26Å |
| 162 | A | 43 | Very low | 48.8 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | | | trans | -60.6 | 127.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y160 F164 | Y160-A162 PolarHBondContact O-N 2.98Å; A162-F164 PolarHBondContact O-N 3.3Å |
| 163 | Q | 40.5 | Very low | 50.3 | Low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | | | trans | -69.1 | 94.9 | 174.3 | -67.7 | -174.1 | 26.1 | 0 | 0 | 109.4 | Q161 L165 | Q161-Q163 PolarHBondContact O-N 3.26Å; Q163-L165 PolarHBondContact O-N 3.46Å; Q163-L165 VanDerWaalsContact O-N 3.12Å |
| 164 | F | 44.8 | Very low | 52 | Low | 185 Ų | 185 | 137.4 Ų | 137.4 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | | | trans | -70.8 | 102.2 | 165.2 | -100.5 | -91.3 | 0 | 0 | 0 | 108.8 | A162 L166 | A162-F164 PolarHBondContact O-N 3.3Å; F164-L166 PolarHBondContact O-N 3.22Å; F164-L166 VanDerWaalsContact O-N 3.14Å |
| 165 | L | 45.6 | Very low | 53.8 | Low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | | | trans | -65.5 | 107.9 | 169.2 | -160.5 | 71.1 | 0 | 0 | 0 | 107.8 | Q163 | Q163-L165 PolarHBondContact O-N 3.46Å; Q163-L165 VanDerWaalsContact O-N 3.12Å |
| 166 | L | 49.4 | Very low | 55.7 | Low | 153 Ų | 153 | 134.1 Ų | 134.1 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | | | trans | -61.3 | 133.4 | -176.4 | -95.5 | 80.5 | 0 | 0 | 0 | 111 | F164 E168 | F164-L166 PolarHBondContact O-N 3.22Å; F164-L166 VanDerWaalsContact O-N 3.14Å; L166-E168 PolarHBondContact O-N 3.15Å |
| 167 | P | 56.3 | Low | 57.4 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | | | trans | -75.6 | 122.9 | 171.5 | 30.2 | -32.4 | 0 | 0 | 0 | 110.6 | G169 A170 | P167-G169 PolarHBondContact O-N 3.34Å; P167-A170 PolarHBondContact O-N 3.5Å |
| 168 | E | 57.8 | Low | 59 | Low | 184 Ų | 184 | 136.7 Ų | 136.7 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -16 | 179.7 | -158.4 | -180 | 117.2 | 0 | 0 | 114 | L166 A170 | L166-E168 PolarHBondContact O-N 3.15Å; E168-A170 VanDerWaalsContact C-N 3.32Å; E168-A170 PolarHBondContact O-N 2.99Å |
| 169 | G | 58.8 | Low | 60.4 | Low | 36 Ų | 36 | 138.2 Ų | 138.2 | 37% | 0.371 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -66.8 | -22.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P167 Q171 Q172 Q173 | P167-G169 PolarHBondContact O-N 3.34Å; G169-Q171 PolarHBondContact O-N 3.49Å; G169-Q172 PolarHBondContact O-N 3.06Å; G169-Q173 PolarHBondContact O-N 2.99Å; G169-Q173 VanDerWaalsContact O-N 3.15Å |
| 170 | A | 62.6 | Low | 61.8 | Low | 52 Ų | 52 | 136.9 Ų | 136.9 | 43% | 0.43 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -67 | -36.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P167 E168 Q174 | P167-A170 PolarHBondContact O-N 3.5Å; E168-A170 VanDerWaalsContact C-N 3.32Å; E168-A170 PolarHBondContact O-N 2.99Å; A170-Q174 PolarHBondContact O-N 3.3Å |
| 171 | Q | 68.3 | Low | 63.6 | Low | 124 Ų | 124 | 127.5 Ų | 127.5 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -42.2 | 174.7 | -76.4 | -82.6 | -18.9 | 0 | 0 | 111.3 | G169 Q174 H175 | G169-Q171 PolarHBondContact O-N 3.49Å; Q171-Q174 PolarHBondContact O-N 2.82Å; Q171-H175 PolarHBondContact O-N 3.31Å; Q171-H175 PolarHBondContact O-ND1 3.42Å |
| 172 | Q | 71.7 | Confident | 65.2 | Low | 151 Ų | 151 | 124.2 Ų | 124.2 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.1 | -38.4 | -178.9 | -163.5 | 179.7 | 25.4 | 0 | 0 | 112 | G169 Q174 H175 L176 | G169-Q172 PolarHBondContact O-N 3.06Å; Q172-Q174 PolarHBondContact O-N 3.31Å; Q172-H175 PolarHBondContact O-N 2.9Å; Q172-L176 PolarHBondContact O-N 3.44Å |
| 173 | Q | 74.1 | Confident | 66.6 | Low | 134 Ų | 134 | 123.1 Ų | 123.1 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62 | -41.5 | 173.4 | -70.7 | -178.8 | 0.3 | 0 | 0 | 111.9 | G169 L176 L177 | G169-Q173 PolarHBondContact O-N 2.99Å; G169-Q173 VanDerWaalsContact O-N 3.15Å; Q173-L176 PolarHBondContact O-N 2.91Å; Q173-L177 VanDerWaalsContact O-CD1 3.28Å; Q173-L177 WeakPolarHBondContact O-CD1 3.43Å; Q173-L177 PolarHBondContact O-N 3.23Å |
| 174 | Q | 77.7 | Confident | 68 | Low | 135 Ų | 135 | 118.8 Ų | 118.8 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.4 | -39.2 | 175.8 | -71.6 | -171.2 | 0.5 | 0 | 0 | 112.8 | A170 Q171 Q172 L176 L177 R178 | A170-Q174 PolarHBondContact O-N 3.3Å; Q171-Q174 PolarHBondContact O-N 2.82Å; Q172-Q174 PolarHBondContact O-N 3.31Å; Q174-L176 VanDerWaalsContact C-N 3.34Å; Q174-L176 PolarHBondContact O-N 3.38Å; Q174-L177 PolarHBondContact O-N 2.77Å; Q174-R178 WeakPolarHBondContact O-CB 3.34Å; Q174-R178 PolarHBondContact O-N 3.23Å |
| 175 | H | 77.5 | Confident | 69 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 173.4 | -77 | 83 | 0 | 0 | 0 | 112 | Q171 Q172 R178 Y179 | Q171-H175 PolarHBondContact O-N 3.31Å; Q171-H175 PolarHBondContact O-ND1 3.42Å; Q172-H175 PolarHBondContact O-N 2.9Å; H175-R178 PolarHBondContact O-N 3.18Å; H175-Y179 WeakPolarHBondContact O-CB 3.4Å; H175-Y179 PolarHBondContact O-N 2.88Å |
| 176 | L | 79.1 | Confident | 69.7 | Low | 95 Ų | 95 | 112.9 Ų | 112.9 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.2 | -45.4 | 177 | -173.9 | 61.7 | 0 | 0 | 0 | 111.8 | Q172 Q173 Q174 R178 Y179 W180 | Q172-L176 PolarHBondContact O-N 3.44Å; Q173-L176 PolarHBondContact O-N 2.91Å; Q174-L176 VanDerWaalsContact C-N 3.34Å; Q174-L176 PolarHBondContact O-N 3.38Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.9Å; L176-Y179 WeakPolarHBondContact O-CB 3.2Å; L176-Y179 PolarHBondContact O-N 2.94Å; L176-W180 PolarHBondContact O-N 3.39Å |
| 177 | L | 79 | Confident | 69.9 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 64% | 0.639 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60 | -40.7 | 174.3 | -96 | 70.5 | 0 | 0 | 0 | 111.6 | Q173 Q174 W180 S181 | Q173-L177 VanDerWaalsContact O-CD1 3.28Å; Q173-L177 WeakPolarHBondContact O-CD1 3.43Å; Q173-L177 PolarHBondContact O-N 3.23Å; Q174-L177 PolarHBondContact O-N 2.77Å; L177-W180 PolarHBondContact O-N 2.98Å; L177-S181 PolarHBondContact O-N 2.64Å |
| 178 | R | 80.6 | Confident | 69.9 | Low | 149 Ų | 149 | 111.4 Ų | 111.4 | 56% | 0.562 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -46.1 | 176.8 | -161.2 | -177.4 | 115 | -163.3 | -2 | 111.3 | Q174 H175 L176 W180 S181 E182 | Q174-R178 WeakPolarHBondContact O-CB 3.34Å; Q174-R178 PolarHBondContact O-N 3.23Å; H175-R178 PolarHBondContact O-N 3.18Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.9Å; R178-W180 PolarHBondContact O-N 3.01Å; R178-S181 WeakPolarHBondContact CA-OG 3.48Å; R178-S181 PolarHBondContact O-N 2.92Å; R178-S181 VanDerWaalsContact O-N 3.09Å; R178-S181 PolarHBondContact O-OG 2.71Å; R178-E182 IonicContact CZ-OE1 3.46Å; R178-E182 IonicContact NE-OE1 2.77Å; R178-E182 PolarHBondContact NE-OE1 2.8Å; R178-E182 IonicContact NH2-OE1 3.23Å; R178-E182 PolarHBondContact NH2-OE1 2.96Å; R178-E182 WeakPolarHBondContact O-CG 3.49Å; R178-E182 PolarHBondContact O-N 3.09Å |
| 179 | Y | 78.8 | Confident | 69.7 | Low | 145 Ų | 145 | 113.6 Ų | 113.6 | 57% | 0.569 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -54.9 | -47.3 | 173.6 | 173.1 | -95.4 | 0 | 0 | 0 | 112.2 | H175 L176 S181 E182 A183 | H175-Y179 WeakPolarHBondContact O-CB 3.4Å; H175-Y179 PolarHBondContact O-N 2.88Å; L176-Y179 WeakPolarHBondContact O-CB 3.2Å; L176-Y179 PolarHBondContact O-N 2.94Å; Y179-S181 VanDerWaalsContact C-N 3.35Å; Y179-S181 PolarHBondContact O-N 3.38Å; Y179-E182 PolarHBondContact O-N 3.45Å; Y179-A183 VanDerWaalsContact O-CB 3.25Å; Y179-A183 WeakPolarHBondContact O-CB 3.28Å; Y179-A183 PolarHBondContact O-N 3.1Å |
| 180 | W | 73.7 | Confident | 69 | Low | 140 Ų | 140 | 115.6 Ų | 115.6 | 53% | 0.53 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64 | -37.3 | 175.4 | -72.6 | 113.2 | 0 | 0 | 0 | 112.7 | L176 L177 R178 L184 | L176-W180 PolarHBondContact O-N 3.39Å; L177-W180 PolarHBondContact O-N 2.98Å; R178-W180 PolarHBondContact O-N 3.01Å; W180-L184 HydrophobicContact CE3-CD1 4.32Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.25Å; W180-L184 VanDerWaalsContact O-CG 3.31Å; W180-L184 WeakPolarHBondContact O-CG 3.31Å; W180-L184 PolarHBondContact O-N 3.42Å |
| 181 | S | 77.2 | Confident | 68.1 | Low | 45 Ų | 45 | 116 Ų | 116 | 32% | 0.315 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.4 | -37.2 | 177.5 | 76 | 0 | 0 | 0 | 0 | 113.2 | L177 R178 Y179 N185 L186 | L177-S181 PolarHBondContact O-N 2.64Å; R178-S181 WeakPolarHBondContact CA-OG 3.48Å; R178-S181 PolarHBondContact O-N 2.92Å; R178-S181 VanDerWaalsContact O-N 3.09Å; R178-S181 PolarHBondContact O-OG 2.71Å; Y179-S181 VanDerWaalsContact C-N 3.35Å; Y179-S181 PolarHBondContact O-N 3.38Å; S181-N185 PolarHBondContact O-N 2.84Å; S181-L186 PolarHBondContact O-N 3.47Å |
| 182 | E | 72.8 | Confident | 67.2 | Low | 111 Ų | 111 | 120 Ų | 120 | 52% | 0.519 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.1 | -48.7 | 174.4 | -70.6 | 174.8 | -161.4 | 0 | 0 | 110.4 | R178 Y179 L184 N185 | R178-E182 IonicContact CZ-OE1 3.46Å; R178-E182 IonicContact NE-OE1 2.77Å; R178-E182 PolarHBondContact NE-OE1 2.8Å; R178-E182 IonicContact NH2-OE1 3.23Å; R178-E182 PolarHBondContact NH2-OE1 2.96Å; R178-E182 WeakPolarHBondContact O-CG 3.49Å; R178-E182 PolarHBondContact O-N 3.09Å; Y179-E182 PolarHBondContact O-N 3.45Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.59Å; E182-N185 PolarHBondContact O-N 3.18Å |
| 183 | A | 73.3 | Confident | 66.1 | Low | 57 Ų | 57 | 117.2 Ų | 117.2 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.9 | -33 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y179 | Y179-A183 VanDerWaalsContact O-CB 3.25Å; Y179-A183 WeakPolarHBondContact O-CB 3.28Å; Y179-A183 PolarHBondContact O-N 3.1Å |
| 184 | L | 69.7 | Low | 64.8 | Low | 103 Ų | 103 | 114.2 Ų | 114.2 | 54% | 0.539 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | 4.8 | -179.3 | -62 | 173.9 | 0 | 0 | 0 | 113.4 | W180 E182 L186 | W180-L184 HydrophobicContact CE3-CD1 4.32Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.25Å; W180-L184 VanDerWaalsContact O-CG 3.31Å; W180-L184 WeakPolarHBondContact O-CG 3.31Å; W180-L184 PolarHBondContact O-N 3.42Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.59Å; L184-L186 HydrophobicContact CB-CD1 3.7Å; L184-L186 HydrophobicContact CB-CD2 4.49Å; L184-L186 HydrophobicContact CB-CG 3.65Å; L184-L186 HydrophobicContact CD1-CD1 3.87Å; L184-L186 HydrophobicContact CG-CD1 4.45Å; L184-L186 PolarHBondContact O-N 3.3Å |
| 185 | N | 64.9 | Low | 63.4 | Low | 108 Ų | 108 | 111.4 Ų | 111.4 | 58% | 0.578 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.7 | 33.7 | -175.1 | -72.3 | -86.4 | 0 | 0 | 0 | 113.8 | S181 E182 S187 | S181-N185 PolarHBondContact O-N 2.84Å; E182-N185 PolarHBondContact O-N 3.18Å; N185-S187 PolarHBondContact O-N 2.93Å; N185-S187 VanDerWaalsContact O-N 3.12Å |
| 186 | L | 60.1 | Low | 62.5 | Low | 117 Ų | 117 | 112.1 Ų | 112.1 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | | | trans | -80.6 | 14.8 | -175.5 | -64.9 | 172 | 0 | 0 | 0 | 113.6 | S181 L184 P188 | S181-L186 PolarHBondContact O-N 3.47Å; L184-L186 HydrophobicContact CB-CD1 3.7Å; L184-L186 HydrophobicContact CB-CD2 4.49Å; L184-L186 HydrophobicContact CB-CG 3.65Å; L184-L186 HydrophobicContact CD1-CD1 3.87Å; L184-L186 HydrophobicContact CG-CD1 4.45Å; L184-L186 PolarHBondContact O-N 3.3Å; L186-P188 VanDerWaalsContact O-CD 3.3Å; L186-P188 WeakPolarHBondContact O-CD 3.47Å |
| 187 | S | 54.4 | Low | 61.1 | Low | 86 Ų | 86 | 114.4 Ų | 114.4 | 60% | 0.601 | 65% | 0.654 | S | S | * | * | | | trans | -75.1 | 117.9 | -174.8 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | N185 R189 | N185-S187 PolarHBondContact O-N 2.93Å; N185-S187 VanDerWaalsContact O-N 3.12Å; S187-R189 PolarHBondContact O-N 3.21Å |
| 188 | P | 56.5 | Low | 59.9 | Low | 137 Ų | 137 | 113 Ų | 113 | 89% | 0.89 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -72.3 | 10.5 | -172.7 | -20.8 | 34.4 | 0 | 0 | 0 | 116.2 | L186 | L186-P188 VanDerWaalsContact O-CD 3.3Å; L186-P188 WeakPolarHBondContact O-CD 3.47Å |
| 189 | R | 53.1 | Low | 58.7 | Low | 230 Ų | 230 | 109.7 Ų | 109.7 | 87% | 0.868 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -132.6 | 88.1 | -160.6 | -168 | 172.1 | -177.7 | 162.7 | 0.2 | 113.5 | S187 | S187-R189 PolarHBondContact O-N 3.21Š|
| 190 | G | 44.7 | Very low | 57.5 | Low | 78 Ų | 78 | 109.2 Ų | 109.2 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | | | trans | 76.5 | 142.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 191 | G | 42.2 | Very low | 56.5 | Low | 61 Ų | 61 | 110.9 Ų | 110.9 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | | | cis | 144.8 | 102.1 | 15.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A193 | G191-A193 VanDerWaalsContact C-N 3.33Å; G191-A193 PolarHBondContact O-N 3.15Å |
| 192 | Q | 50.7 | Low | 55.5 | Low | 207 Ų | 207 | 115.3 Ų | 115.3 | 97% | 0.967 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 64.2 | -4 | 159.2 | -55.6 | -67.4 | -8 | 0 | 0 | 120.6 | | |
| 193 | A | 47.5 | Very low | 54.5 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | | | trans | -114.8 | -15.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | G191 G195 | G191-A193 VanDerWaalsContact C-N 3.33Å; G191-A193 PolarHBondContact O-N 3.15Å; A193-G195 PolarHBondContact O-N 3.22Å |
| 194 | A | 47 | Very low | 53.7 | Low | 70 Ų | 70 | 120.4 Ų | 120.4 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | | | trans | -92.9 | 26.9 | -162.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | V196 | A194-V196 PolarHBondContact O-N 3.49Š|
| 195 | G | 49.7 | Very low | 53.1 | Low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | | | trans | -82.7 | -1.1 | -166.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | A193 | A193-G195 PolarHBondContact O-N 3.22Š|
| 196 | V | 56.9 | Low | 52.6 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -114.7 | -18.8 | -156.3 | -174.8 | 0 | 0 | 0 | 0 | 115.6 | A194 | A194-V196 PolarHBondContact O-N 3.49Š|
| 197 | L | 50.2 | Low | 52.8 | Low | 143 Ų | 143 | 124 Ų | 124 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | | | trans | -136.4 | 94.3 | -170.1 | -63.6 | 173 | 0 | 0 | 0 | 112.8 | | |
| 198 | P | 53.5 | Low | 53.3 | Low | 91 Ų | 91 | 125.3 Ų | 125.3 | 59% | 0.591 | 72% | 0.719 | S | S | * | * | S | Bend | | -144 | 7.8 | 125.1 | 37.4 | -23.6 | 0 | 0 | 0 | 115.2 | L200 Y201 | P198-L200 VanDerWaalsContact C-N 3.35Å; P198-L200 PolarHBondContact O-N 3.07Å; P198-Y201 PolarHBondContact O-N 3.25Å |
| 199 | S | 56.8 | Low | 53.3 | Low | 80 Ų | 80 | 123.6 Ų | 123.6 | 56% | 0.559 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -63.8 | -32.9 | -170.3 | -161.4 | 0 | 0 | 0 | 0 | 114.5 | Q202 | S199-Q202 WeakPolarHBondContact O-CB 3.26Å; S199-Q202 PolarHBondContact O-N 2.85Å |
| 200 | L | 53.2 | Low | 53.5 | Low | 136 Ų | 136 | 117.6 Ų | 117.6 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -72.3 | -32.2 | -175.1 | -59.7 | 179.3 | 0 | 0 | 0 | 113.5 | P198 | P198-L200 VanDerWaalsContact C-N 3.35Å; P198-L200 PolarHBondContact O-N 3.07Å |
| 201 | Y | 52.5 | Low | 54.3 | Low | 175 Ų | 175 | 121.7 Ų | 121.7 | 69% | 0.686 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78.4 | -26 | 176.8 | -71.8 | -78.6 | 0 | 0 | 0 | 113 | P198 H203 L204 L205 | P198-Y201 PolarHBondContact O-N 3.25Å; Y201-H203 PolarHBondContact O-N 3.35Å; Y201-L204 PolarHBondContact O-N 3.21Å; Y201-L204 VanDerWaalsContact O-N 3.15Å; Y201-L205 PolarHBondContact O-N 3.02Å |
| 202 | Q | 55.2 | Low | 55.5 | Low | 137 Ų | 137 | 128.5 Ų | 128.5 | 64% | 0.64 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -58.2 | -30.1 | 172.8 | -68.3 | -109 | 22.8 | 0 | 0 | 112.4 | S199 R206 | S199-Q202 WeakPolarHBondContact O-CB 3.26Å; S199-Q202 PolarHBondContact O-N 2.85Å; Q202-R206 WeakPolarHBondContact O-CB 3.5Å; Q202-R206 PolarHBondContact O-N 3.37Å |
| 203 | H | 52.6 | Low | 57.2 | Low | 133 Ų | 133 | 124.1 Ų | 124.1 | 62% | 0.616 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -79.1 | -26.2 | 178.6 | -83.8 | -96.8 | 0 | 0 | 0 | 114.1 | Y201 | Y201-H203 PolarHBondContact O-N 3.35Å |
| 204 | L | 55.7 | Low | 59.5 | Low | 143 Ų | 143 | 123 Ų | 123 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -91.2 | -24.4 | -176.5 | -63.8 | 176 | 0 | 0 | 0 | 113.3 | Y201 | Y201-L204 PolarHBondContact O-N 3.21Å; Y201-L204 VanDerWaalsContact O-N 3.15Å |
| 205 | L | 57.9 | Low | 61.7 | Low | 151 Ų | 151 | 123.2 Ų | 123.2 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -97.7 | 3.3 | 173.4 | -71.5 | 166.8 | 0 | 0 | 0 | 113.2 | Y201 | Y201-L205 PolarHBondContact O-N 3.02Š|
| 206 | R | 55.2 | Low | 63.8 | Low | 152 Ų | 152 | 120.9 Ų | 120.9 | 57% | 0.574 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -71.1 | 125.7 | 173.9 | 179.4 | 165.4 | 176.8 | 162.3 | -0.4 | 109 | Q202 | Q202-R206 WeakPolarHBondContact O-CB 3.5Å; Q202-R206 PolarHBondContact O-N 3.37Å |
| 207 | P | 62.9 | Low | 65.7 | Low | 100 Ų | 100 | 115.5 Ų | 115.5 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 149.8 | 170.5 | 24.5 | -33.8 | 0 | 0 | 0 | 109.5 | | |
| 208 | P | 65.3 | Low | 67.8 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 74% | 0.74 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -47.8 | 136.6 | -173.1 | 19.3 | -33 | 0 | 0 | 0 | 110.3 | P210 | P208-P210 VanDerWaalsContact O-N 3.15Š|
| 209 | P | 57.5 | Low | 69.8 | Low | 101 Ų | 101 | 114.5 Ų | 114.5 | 66% | 0.656 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 127.9 | -170.8 | 22.1 | -33.9 | 0 | 0 | 0 | 108.4 | Q211 | P209-Q211 PolarHBondContact O-N 2.95Š|
| 210 | P | 57.2 | Low | 71.6 | Confident | 104 Ų | 104 | 117.7 Ų | 117.7 | 68% | 0.675 | 58% | 0.576 | S | S | * | * | | | trans | -53.3 | 114.8 | -166.8 | 19.8 | -32.6 | 0 | 0 | 0 | 108.3 | P208 K212 | P208-P210 VanDerWaalsContact O-N 3.15Å; P210-K212 PolarHBondContact O-N 3.08Å; P210-K212 VanDerWaalsContact O-N 3.08Å |
| 211 | Q | 61.7 | Low | 73.5 | Confident | 164 Ų | 164 | 119.5 Ų | 119.5 | 77% | 0.766 | 58% | 0.58 | S | S | * | * | | | trans | -48.8 | 122.6 | -179.1 | -68.8 | 177.3 | -31 | 0 | 0 | 106.6 | P209 L213 | P209-Q211 PolarHBondContact O-N 2.95Å; Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.35Å |
| 212 | K | 67.5 | Low | 75.3 | Confident | 204 Ų | 204 | 120.5 Ų | 120.5 | 89% | 0.887 | 58% | 0.583 | S | S | * | * | | | trans | -55.6 | 98.6 | -167.2 | -70.3 | 179.8 | -178.9 | 175.5 | 0 | 109.1 | P210 Y214 | P210-K212 PolarHBondContact O-N 3.08Å; P210-K212 VanDerWaalsContact O-N 3.08Å; K212-Y214 PolarHBondContact O-N 3.47Å |
| 213 | L | 86.4 | Confident | 77.1 | Confident | 114 Ų | 114 | 115.7 Ų | 115.7 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 126.2 | -172.6 | -70.2 | 171 | 0 | 0 | 0 | 108.4 | Q211 R215 W225 | Q211-L213 VanDerWaalsContact C-N 3.35Å; Q211-L213 PolarHBondContact O-N 3.35Å; L213-R215 PolarHBondContact O-N 3.47Å; L213-W225 HydrophobicContact CD2-CH2 4.32Å; L213-W225 HydrophobicContact CD2-CZ3 3.82Å |
| 214 | Y | 94.4 | Very high | 79.2 | Confident | 69 Ų | 69 | 113.1 Ų | 113.1 | 27% | 0.271 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 140.2 | 177.5 | -61.5 | -69.7 | 0 | 0 | 0 | 110.2 | K212 G216 V217 A246 E247 A250 N268 F269 | K212-Y214 PolarHBondContact O-N 3.47Å; Y214-G216 PolarHBondContact O-N 3.21Å; Y214-V217 WeakPolarHBondContact O-CB 3.27Å; Y214-V217 PolarHBondContact O-N 2.88Å; Y214-A246 HydrophobicContact CD2-CB 3.83Å; Y214-A246 WeakPolarHBondContact CD2-O 3.39Å; Y214-A246 HydrophobicContact CE2-CB 3.82Å; Y214-E247 HydrophobicContact CE2-CG 4.15Å; Y214-E247 PolarHBondContact OH-OE1 2.88Å; Y214-A250 VanDerWaalsContact CB-CB 3.41Å; Y214-A250 HydrophobicContact CD1-CB 3.99Å; Y214-A250 HydrophobicContact CD2-CB 3.78Å; Y214-A250 HydrophobicContact CG-CB 3.46Å; Y214-A250 VanDerWaalsContact CG-CB 3.46Å; Y214-N268 HydrophobicContact CD1-CB 4.18Å; Y214-F269 HydrophobicContact CD1-CZ 4.15Å; Y214-F269 AromaticContact CE1-CE1 3.82Å; Y214-F269 HydrophobicContact CE1-CE1 3.82Å; Y214-F269 AromaticContact CE1-CZ 3.58Å; Y214-F269 HydrophobicContact CE1-CZ 3.58Å; Y214-F269 AromaticContact CZ-CZ 3.83Å |
| 215 | R | 93.6 | Very high | 81.1 | Confident | 76 Ų | 76 | 107.9 Ų | 107.9 | 29% | 0.287 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 130.9 | -177.4 | 179.9 | -169.9 | 64.8 | -88.1 | -26.1 | 109.7 | L213 V217 Y253 D254 R266 L267 N268 | L213-R215 PolarHBondContact O-N 3.47Å; R215-V217 PolarHBondContact O-N 3.31Å; R215-Y253 HydrophobicContact CG-CE1 4.37Å; R215-Y253 VanDerWaalsContact NE-CE1 3.27Å; R215-Y253 WeakPolarHBondContact O-CD1 3.35Å; R215-D254 IonicContact NH2-OD1 2.84Å; R215-D254 PolarHBondContact NH2-OD1 3.41Å; R215-R266 PolarHBondContact NE-O 3.22Å; R215-R266 PolarHBondContact NH1-O 2.84Å; R215-R266 PolarHBondContact NH2-O 3.03Å; R215-L267 PolarHBondContact NH1-O 2.89Å; R215-L267 VanDerWaalsContact NH2-CA 3.29Å; R215-N268 WeakPolarHBondContact CB-OD1 3.49Å; R215-N268 PolarHBondContact N-OD1 3.5Å; R215-N268 PolarHBondContact NH2-ND2 3.38Å; R215-N268 VanDerWaalsContact NH2-ND2 3.15Å; R215-N268 PolarHBondContact O-ND2 3.31Å; R215-N268 VanDerWaalsContact O-ND2 3.15Å |
| 216 | G | 94.4 | Very high | 82.9 | Confident | 26 Ų | 26 | 101.1 Ų | 101.1 | 27% | 0.268 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -1.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y214 A227 E228 | Y214-G216 PolarHBondContact O-N 3.21Å; G216-A227 WeakPolarHBondContact O-CA 3.3Å; G216-E228 PolarHBondContact O-N 3.29Å; G216-E228 VanDerWaalsContact O-N 3.13Å |
| 217 | V | 96 | Very high | 84.9 | Confident | 12 Ų | 12 | 93.9 Ų | 93.9 | 7% | 0.073 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.2 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | Y214 R215 W225 V226 A249 A250 | Y214-V217 WeakPolarHBondContact O-CB 3.27Å; Y214-V217 PolarHBondContact O-N 2.88Å; R215-V217 PolarHBondContact O-N 3.31Å; V217-W225 HydrophobicContact CG1-CB 4.27Å; V217-W225 HydrophobicContact CG1-CD2 4.44Å; V217-W225 HydrophobicContact CG1-CE3 3.68Å; V217-W225 HydrophobicContact CG1-CZ3 4.42Å; V217-V226 WeakPolarHBondContact CA-O 3.46Å; V217-A249 HydrophobicContact CB-CB 4.34Å; V217-A249 HydrophobicContact CG1-CB 3.69Å; V217-A249 HydrophobicContact CG2-CB 3.7Å; V217-A250 HydrophobicContact CG2-CB 3.94Å |
| 218 | R | 95 | Very high | 86.5 | Confident | 106 Ų | 106 | 90.9 Ų | 90.9 | 40% | 0.4 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.9 | 171.2 | 60.2 | 179.8 | 174 | 81.5 | -1.1 | 110.8 | V226 E228 | R218-V226 HydrophobicContact CG-CB 4.01Å; R218-V226 PolarHBondContact N-O 3.43Å; R218-V226 PolarHBondContact O-N 2.72Å; R218-E228 IonicContact CZ-OE2 3.74Å; R218-E228 VanDerWaalsContact CZ-OE2 3.31Å; R218-E228 IonicContact NE-OE2 3.95Å; R218-E228 PolarHBondContact NE-OE2 2.95Å; R218-E228 IonicContact NH2-OE2 2.76Å; R218-E228 PolarHBondContact NH2-OE2 2.94Å |
| 219 | Q | 95.3 | Very high | 87.9 | Confident | 108 Ų | 108 | 85.7 Ų | 85.7 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 140 | 170.2 | -154.2 | 175.3 | 21 | 0 | 0 | 109.8 | G223 W225 | Q219-G223 PolarHBondContact NE2-O 3.08Å; Q219-W225 HydrophobicContact CB-CD2 4.47Å; Q219-W225 HydrophobicContact CB-CE3 3.86Å; Q219-W225 HydrophobicContact CB-CH2 4.23Å; Q219-W225 HydrophobicContact CB-CZ3 3.75Å; Q219-W225 HydrophobicContact CG-CD2 4.22Å; Q219-W225 HydrophobicContact CG-CE3 4.1Å; Q219-W225 HydrophobicContact CG-CH2 4.22Å; Q219-W225 HydrophobicContact CG-CZ2 4.29Å; Q219-W225 HydrophobicContact CG-CZ3 4.12Å |
| 220 | R | 94.3 | Very high | 89.7 | Confident | 146 Ų | 146 | 88.6 Ų | 88.6 | 55% | 0.551 | 41% | 0.407 | S | S | * | . | | | trans | -95.1 | 157.9 | 169.2 | -166.4 | 169.8 | -169.7 | 162.2 | 7.8 | 109.4 | W222 G223 K224 | R220-W222 PolarHBondContact O-N 3.31Å; R220-G223 PolarHBondContact O-N 2.95Å; R220-K224 PolarHBondContact N-O 3Å; R220-K224 VanDerWaalsContact N-O 3.07Å |
| 221 | H | 94.2 | Very high | 91.3 | Very high | 175 Ų | 175 | 85.7 Ų | 85.7 | 81% | 0.81 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -16.6 | 170.8 | 62.9 | 97.4 | 0 | 0 | 0 | 114.4 | G223 | H221-G223 VanDerWaalsContact C-N 3.28Š|
| 222 | W | 89.9 | Confident | 92.5 | Very high | 195 Ų | 195 | 82.8 Ų | 82.8 | 74% | 0.739 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.4 | 170.7 | -179.1 | -117 | 0 | 0 | 0 | 114.2 | R220 K224 | R220-W222 PolarHBondContact O-N 3.31Å; W222-K224 VanDerWaalsContact CD1-CG 3.41Å; W222-K224 PolarHBondContact O-N 2.9Å |
| 223 | G | 92.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 84.4 Ų | 84.4 | 38% | 0.381 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 83.7 | -28 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q219 R220 H221 | Q219-G223 PolarHBondContact NE2-O 3.08Å; R220-G223 PolarHBondContact O-N 2.95Å; H221-G223 VanDerWaalsContact C-N 3.28Å |
| 224 | K | 95.2 | Very high | 93.4 | Very high | 78 Ų | 78 | 83.2 Ų | 83.2 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | | | trans | -63.8 | 147.2 | 176.3 | -61.9 | -69.3 | -173.5 | 179.6 | 0 | 112.5 | R220 W222 D244 | R220-K224 PolarHBondContact N-O 3Å; R220-K224 VanDerWaalsContact N-O 3.07Å; W222-K224 VanDerWaalsContact CD1-CG 3.41Å; W222-K224 PolarHBondContact O-N 2.9Å; K224-D244 WeakPolarHBondContact CD-OD1 3.38Å; K224-D244 WeakPolarHBondContact CE-OD1 3.48Å; K224-D244 IonicContact NZ-OD1 2.67Å; K224-D244 PolarHBondContact NZ-OD1 3.29Å; K224-D244 IonicContact NZ-OD2 3.45Å; K224-D244 PolarHBondContact NZ-OD2 3.37Å |
| 225 | W | 96.5 | Very high | 93 | Very high | 34 Ų | 34 | 89.9 Ų | 89.9 | 13% | 0.129 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 144.1 | 176.5 | -57.4 | 92 | 0 | 0 | 0 | 110.4 | L213 V217 Q219 T242 F243 S245 A246 A249 | L213-W225 HydrophobicContact CD2-CH2 4.32Å; L213-W225 HydrophobicContact CD2-CZ3 3.82Å; V217-W225 HydrophobicContact CG1-CB 4.27Å; V217-W225 HydrophobicContact CG1-CD2 4.44Å; V217-W225 HydrophobicContact CG1-CE3 3.68Å; V217-W225 HydrophobicContact CG1-CZ3 4.42Å; Q219-W225 HydrophobicContact CB-CD2 4.47Å; Q219-W225 HydrophobicContact CB-CE3 3.86Å; Q219-W225 HydrophobicContact CB-CH2 4.23Å; Q219-W225 HydrophobicContact CB-CZ3 3.75Å; Q219-W225 HydrophobicContact CG-CD2 4.22Å; Q219-W225 HydrophobicContact CG-CE3 4.1Å; Q219-W225 HydrophobicContact CG-CH2 4.22Å; Q219-W225 HydrophobicContact CG-CZ2 4.29Å; Q219-W225 HydrophobicContact CG-CZ3 4.12Å; W225-T242 CarbonylContact O-C 3.52Å; W225-T242 VanDerWaalsContact O-CA 3.27Å; W225-T242 WeakPolarHBondContact O-CA 3.37Å; W225-F243 WeakPolarHBondContact CB-O 3.26Å; W225-F243 PolarHBondContact N-O 3.42Å; W225-F243 PolarHBondContact O-N 2.67Å; W225-S245 VanDerWaalsContact CD1-C 3.43Å; W225-A246 HydrophobicContact CD2-CB 3.74Å; W225-A246 HydrophobicContact CE3-CB 3.88Å; W225-A246 HydrophobicContact CG-CB 4.38Å; W225-A246 HydrophobicContact CH2-CB 3.92Å; W225-A246 HydrophobicContact CZ2-CB 3.82Å; W225-A246 HydrophobicContact CZ3-CB 3.95Å; W225-A249 HydrophobicContact CB-CB 4.03Å |
| 226 | V | 96.2 | Very high | 93 | Very high | 8 Ų | 8 | 90.8 Ų | 90.8 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.6 | 179.8 | -164.2 | 0 | 0 | 0 | 0 | 108.9 | V217 R218 T242 | V217-V226 WeakPolarHBondContact CA-O 3.46Å; R218-V226 HydrophobicContact CG-CB 4.01Å; R218-V226 PolarHBondContact N-O 3.43Å; R218-V226 PolarHBondContact O-N 2.72Å; V226-T242 HydrophobicContact CG1-CG2 4.24Å; V226-T242 HydrophobicContact CG2-CG2 4.18Å |
| 227 | A | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 96.1 Ų | 96.1 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 131.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G216 L240 G241 F243 A249 | G216-A227 WeakPolarHBondContact O-CA 3.3Å; A227-L240 HydrophobicContact CB-CB 4.07Å; A227-L240 HydrophobicContact CB-CD1 4.32Å; A227-L240 WeakPolarHBondContact O-CB 3.49Å; A227-L240 PolarHBondContact O-N 3.4Å; A227-G241 PolarHBondContact N-O 2.83Å; A227-F243 HydrophobicContact CB-CD2 4.3Å; A227-F243 HydrophobicContact CB-CE2 3.85Å; A227-A249 HydrophobicContact CB-CB 4.27Å; A227-A249 WeakPolarHBondContact CB-O 3.42Å |
| 228 | E | 96.4 | Very high | 93 | Very high | 37 Ų | 37 | 99.5 Ų | 99.5 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.3 | 174.7 | 62.5 | -177.8 | -110.7 | 0 | 0 | 110.8 | G216 R218 R237 L238 Y253 | G216-E228 PolarHBondContact O-N 3.29Å; G216-E228 VanDerWaalsContact O-N 3.13Å; R218-E228 IonicContact CZ-OE2 3.74Å; R218-E228 VanDerWaalsContact CZ-OE2 3.31Å; R218-E228 IonicContact NE-OE2 3.95Å; R218-E228 PolarHBondContact NE-OE2 2.95Å; R218-E228 IonicContact NH2-OE2 2.76Å; R218-E228 PolarHBondContact NH2-OE2 2.94Å; E228-R237 VanDerWaalsContact OE1-CD 3.3Å; E228-R237 WeakPolarHBondContact OE1-CD 3.43Å; E228-R237 IonicContact OE1-CZ 3.31Å; E228-R237 IonicContact OE1-NE 2.8Å; E228-R237 IonicContact OE1-NH1 2.9Å; E228-R237 PolarHBondContact OE1-NH1 2.8Å; E228-L238 WeakPolarHBondContact CA-O 3.46Å; E228-Y253 WeakPolarHBondContact O-CD2 3.47Å; E228-Y253 WeakPolarHBondContact O-CE2 3.48Å |
| 229 | I | 95.2 | Very high | 93 | Very high | 6 Ų | 6 | 102.5 Ų | 102.5 | 3% | 0.031 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.3 | 179.8 | -166.9 | 155.5 | 0 | 0 | 0 | 111.6 | R237 L238 L240 Y253 E256 A257 L260 | I229-R237 WeakPolarHBondContact O-CA 3.4Å; I229-L238 HydrophobicContact CG2-CB 3.87Å; I229-L238 HydrophobicContact CG2-CD2 4.33Å; I229-L238 PolarHBondContact N-O 3.12Å; I229-L238 PolarHBondContact O-N 3.26Å; I229-L240 HydrophobicContact CB-CD1 4.26Å; I229-L240 HydrophobicContact CG2-CD1 4.2Å; I229-L240 HydrophobicContact CG2-CD2 3.74Å; I229-L240 HydrophobicContact CG2-CG 4.2Å; I229-Y253 HydrophobicContact CB-CD2 4.21Å; I229-Y253 HydrophobicContact CB-CE2 3.9Å; I229-Y253 HydrophobicContact CD1-CD2 4.37Å; I229-Y253 HydrophobicContact CD1-CE1 4.4Å; I229-Y253 HydrophobicContact CD1-CE2 3.91Å; I229-Y253 HydrophobicContact CG1-CD2 4.47Å; I229-Y253 HydrophobicContact CG1-CE2 3.8Å; I229-E256 HydrophobicContact CD1-CB 4.39Å; I229-A257 HydrophobicContact CD1-CB 3.82Å; I229-L260 HydrophobicContact CD1-CD1 3.76Å; I229-L260 HydrophobicContact CG1-CD1 4.12Å; I229-L260 HydrophobicContact CG2-CD1 4.32Å |
| 230 | R | 94.6 | Very high | 93 | Very high | 161 Ų | 161 | 99.3 Ų | 99.3 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.1 | 173.6 | -60.7 | -175.7 | -176.1 | -173.8 | 3.3 | 108.5 | R237 | R230-R237 HydrophobicContact CG-CG 4.4Å |
| 231 | L | 91 | Very high | 93.2 | Very high | 43 Ų | 43 | 93 Ų | 93 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | | | trans | -80.5 | 141.4 | 178.8 | -58.3 | 179 | 0 | 0 | 0 | 110 | R233 N234 L260 | L231-R233 VanDerWaalsContact C-N 3.33Å; L231-R233 PolarHBondContact O-N 2.96Å; L231-N234 HydrophobicContact CB-CB 4.05Å; L231-N234 HydrophobicContact CD1-CB 4.08Å; L231-L260 HydrophobicContact CD2-CD1 3.45Å; L231-L260 VanDerWaalsContact CD2-CD1 3.45Å; L231-L260 HydrophobicContact CD2-CD2 3.75Å; L231-L260 HydrophobicContact CD2-CG 4.27Å |
| 232 | P | 86.9 | Confident | 93.3 | Very high | 103 Ų | 103 | 88.7 Ų | 88.7 | 67% | 0.669 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -73.6 | -22.6 | -177.6 | 27.9 | -34.5 | 0 | 0 | 0 | 113.6 | | |
| 233 | R | 87.5 | Confident | 93.6 | Very high | 239 Ų | 239 | 81.1 Ų | 81.1 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -99.5 | -24.9 | 177.8 | -68.4 | -177.6 | 178.3 | 156.9 | 0.8 | 113.8 | L231 | L231-R233 VanDerWaalsContact C-N 3.33Å; L231-R233 PolarHBondContact O-N 2.96Å |
| 234 | N | 83.7 | Confident | 93.8 | Very high | 89 Ų | 89 | 85 Ų | 85 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | | | trans | -118.2 | 125.8 | -175.8 | -57.2 | -21.7 | 0 | 0 | 0 | 108.4 | L231 T236 | L231-N234 HydrophobicContact CB-CB 4.05Å; L231-N234 HydrophobicContact CD1-CB 4.08Å; N234-T236 PolarHBondContact O-N 2.9Å |
| 235 | R | 88.1 | Confident | 93.8 | Very high | 209 Ų | 209 | 83.2 Ų | 83.2 | 79% | 0.789 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -63.1 | -9.4 | 175 | -162.2 | 173.1 | -178.7 | -170.3 | 0.1 | 113.2 | | |
| 236 | T | 93 | Very high | 93.8 | Very high | 94 Ų | 94 | 82 Ų | 82 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 141.6 | 172.4 | -39.7 | 0 | 0 | 0 | 0 | 112.3 | N234 | N234-T236 PolarHBondContact O-N 2.9Š|
| 237 | R | 94.7 | Very high | 93.7 | Very high | 138 Ų | 138 | 85.7 Ų | 85.7 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135 | 169.1 | -52.3 | -170.1 | -173 | -167.1 | 8.1 | 109.3 | E228 I229 R230 | E228-R237 VanDerWaalsContact OE1-CD 3.3Å; E228-R237 WeakPolarHBondContact OE1-CD 3.43Å; E228-R237 IonicContact OE1-CZ 3.31Å; E228-R237 IonicContact OE1-NE 2.8Å; E228-R237 IonicContact OE1-NH1 2.9Å; E228-R237 PolarHBondContact OE1-NH1 2.8Å; I229-R237 WeakPolarHBondContact O-CA 3.4Å; R230-R237 HydrophobicContact CG-CG 4.4Å |
| 238 | L | 94.5 | Very high | 93.7 | Very high | 83 Ų | 83 | 88.5 Ų | 88.5 | 44% | 0.435 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 120.8 | 169.7 | -174.7 | 69.5 | 0 | 0 | 0 | 108.3 | E228 I229 L240 | E228-L238 WeakPolarHBondContact CA-O 3.46Å; I229-L238 HydrophobicContact CG2-CB 3.87Å; I229-L238 HydrophobicContact CG2-CD2 4.33Å; I229-L238 PolarHBondContact N-O 3.12Å; I229-L238 PolarHBondContact O-N 3.26Å; L238-L240 HydrophobicContact CB-CD2 4.42Å; L238-L240 HydrophobicContact CD2-CD2 3.79Å; L238-L240 HydrophobicContact CG-CD2 3.91Å |
| 239 | W | 95.2 | Very high | 93.7 | Very high | 170 Ų | 170 | 86.8 Ų | 86.8 | 64% | 0.644 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 125.4 | 170.1 | 173 | 45.6 | 0 | 0 | 0 | 108.5 | G241 T242 | W239-G241 PolarHBondContact NE1-O 3.45Å; W239-T242 HydrophobicContact CZ2-CG2 4.04Å |
| 240 | L | 96.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 86.5 Ų | 86.5 | 21% | 0.209 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -25.1 | -174.6 | -55.1 | -173 | 0 | 0 | 0 | 112.7 | A227 I229 L238 Y253 E256 | A227-L240 HydrophobicContact CB-CB 4.07Å; A227-L240 HydrophobicContact CB-CD1 4.32Å; A227-L240 WeakPolarHBondContact O-CB 3.49Å; A227-L240 PolarHBondContact O-N 3.4Å; I229-L240 HydrophobicContact CB-CD1 4.26Å; I229-L240 HydrophobicContact CG2-CD1 4.2Å; I229-L240 HydrophobicContact CG2-CD2 3.74Å; I229-L240 HydrophobicContact CG2-CG 4.2Å; L238-L240 HydrophobicContact CB-CD2 4.42Å; L238-L240 HydrophobicContact CD2-CD2 3.79Å; L238-L240 HydrophobicContact CG-CD2 3.91Å; L240-Y253 HydrophobicContact CD1-CD2 4.43Å; L240-E256 HydrophobicContact CD1-CB 4.01Å; L240-E256 HydrophobicContact CD1-CG 3.93Å; L240-E256 HydrophobicContact CD2-CB 4.15Å; L240-E256 HydrophobicContact CD2-CG 3.72Å; L240-E256 HydrophobicContact CG-CG 4.4Å |
| 241 | G | 96.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 80.8 Ų | 80.8 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | -176.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A227 W239 | A227-G241 PolarHBondContact N-O 2.83Å; W239-G241 PolarHBondContact NE1-O 3.45Å |
| 242 | T | 97.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 79.3 Ų | 79.3 | 52% | 0.515 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 134.6 | 170.3 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | W225 V226 W239 | W225-T242 CarbonylContact O-C 3.52Å; W225-T242 VanDerWaalsContact O-CA 3.27Å; W225-T242 WeakPolarHBondContact O-CA 3.37Å; V226-T242 HydrophobicContact CG1-CG2 4.24Å; V226-T242 HydrophobicContact CG2-CG2 4.18Å; W239-T242 HydrophobicContact CZ2-CG2 4.04Å |
| 243 | F | 97.3 | Very high | 94.6 | Very high | 36 Ų | 36 | 76 Ų | 76 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 158.5 | -169.6 | -54.1 | -89.6 | 0 | 0 | 0 | 110.5 | W225 A227 D248 A249 A252 | W225-F243 WeakPolarHBondContact CB-O 3.26Å; W225-F243 PolarHBondContact N-O 3.42Å; W225-F243 PolarHBondContact O-N 2.67Å; A227-F243 HydrophobicContact CB-CD2 4.3Å; A227-F243 HydrophobicContact CB-CE2 3.85Å; F243-D248 HydrophobicContact CD1-CB 4.44Å; F243-D248 VanDerWaalsContact CD1-OD2 3.26Å; F243-D248 WeakPolarHBondContact CD1-OD2 3.45Å; F243-A249 HydrophobicContact CB-CB 4.01Å; F243-A249 HydrophobicContact CD2-CB 3.65Å; F243-A249 HydrophobicContact CE2-CB 4.49Å; F243-A249 HydrophobicContact CG-CB 4.03Å; F243-A252 HydrophobicContact CE1-CB 3.9Å; F243-A252 HydrophobicContact CE2-CB 3.81Å; F243-A252 HydrophobicContact CZ-CB 3.32Å |
| 244 | D | 96 | Very high | 95 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -90.7 | -21.8 | -176.1 | -71.1 | 5.8 | 0 | 0 | 0 | 112.2 | K224 | K224-D244 WeakPolarHBondContact CD-OD1 3.38Å; K224-D244 WeakPolarHBondContact CE-OD1 3.48Å; K224-D244 IonicContact NZ-OD1 2.67Å; K224-D244 PolarHBondContact NZ-OD1 3.29Å; K224-D244 IonicContact NZ-OD2 3.45Å; K224-D244 PolarHBondContact NZ-OD2 3.37Å |
| 245 | S | 96.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -116.5 | 150.1 | 175.1 | 136.8 | 0 | 0 | 0 | 0 | 111.2 | W225 E247 D248 A249 | W225-S245 VanDerWaalsContact CD1-C 3.43Å; S245-E247 VanDerWaalsContact C-N 3.34Å; S245-E247 WeakPolarHBondContact CB-OE2 3.4Å; S245-E247 WeakPolarHBondContact OG-CB 3.37Å; S245-E247 PolarHBondContact OG-N 3.46Å; S245-E247 VanDerWaalsContact OG-N 3.1Å; S245-E247 PolarHBondContact OG-OE2 2.93Å; S245-D248 PolarHBondContact OG-N 3.22Å; S245-A249 PolarHBondContact O-N 2.94Å |
| 246 | A | 95.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 59 Ų | 59 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y214 W225 A250 | Y214-A246 HydrophobicContact CD2-CB 3.83Å; Y214-A246 WeakPolarHBondContact CD2-O 3.39Å; Y214-A246 HydrophobicContact CE2-CB 3.82Å; W225-A246 HydrophobicContact CD2-CB 3.74Å; W225-A246 HydrophobicContact CE3-CB 3.88Å; W225-A246 HydrophobicContact CG-CB 4.38Å; W225-A246 HydrophobicContact CH2-CB 3.92Å; W225-A246 HydrophobicContact CZ2-CB 3.82Å; W225-A246 HydrophobicContact CZ3-CB 3.95Å; A246-A250 VanDerWaalsContact O-CB 3.26Å; A246-A250 WeakPolarHBondContact O-CB 3.39Å; A246-A250 PolarHBondContact O-N 2.82Å |
| 247 | E | 95.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 55 Ų | 55 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 179.8 | -58.9 | 63.8 | -140.8 | 0 | 0 | 111.3 | Y214 S245 A250 M251 F269 | Y214-E247 HydrophobicContact CE2-CG 4.15Å; Y214-E247 PolarHBondContact OH-OE1 2.88Å; S245-E247 VanDerWaalsContact C-N 3.34Å; S245-E247 WeakPolarHBondContact CB-OE2 3.4Å; S245-E247 WeakPolarHBondContact OG-CB 3.37Å; S245-E247 PolarHBondContact OG-N 3.46Å; S245-E247 VanDerWaalsContact OG-N 3.1Å; S245-E247 PolarHBondContact OG-OE2 2.93Å; E247-A250 WeakPolarHBondContact O-CB 3.33Å; E247-A250 PolarHBondContact O-N 2.99Å; E247-M251 WeakPolarHBondContact O-CG 3.46Å; E247-M251 PolarHBondContact O-N 3.15Å; E247-F269 HydrophobicContact CB-CZ 4.39Å |
| 248 | D | 96.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 178.2 | -166.7 | 38.3 | 0 | 0 | 0 | 111.6 | F243 S245 A250 M251 A252 | F243-D248 HydrophobicContact CD1-CB 4.44Å; F243-D248 VanDerWaalsContact CD1-OD2 3.26Å; F243-D248 WeakPolarHBondContact CD1-OD2 3.45Å; S245-D248 PolarHBondContact OG-N 3.22Å; D248-A250 PolarHBondContact O-N 3.5Å; D248-M251 HydrophobicContact CB-CE 4.31Å; D248-M251 PolarHBondContact O-N 2.8Å; D248-M251 WeakPolarHBondContact OD1-CE 3.35Å; D248-A252 PolarHBondContact O-N 3.46Å |
| 249 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -39.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V217 W225 A227 F243 S245 A252 Y253 | V217-A249 HydrophobicContact CB-CB 4.34Å; V217-A249 HydrophobicContact CG1-CB 3.69Å; V217-A249 HydrophobicContact CG2-CB 3.7Å; W225-A249 HydrophobicContact CB-CB 4.03Å; A227-A249 HydrophobicContact CB-CB 4.27Å; A227-A249 WeakPolarHBondContact CB-O 3.42Å; F243-A249 HydrophobicContact CB-CB 4.01Å; F243-A249 HydrophobicContact CD2-CB 3.65Å; F243-A249 HydrophobicContact CE2-CB 4.49Å; F243-A249 HydrophobicContact CG-CB 4.03Å; S245-A249 PolarHBondContact O-N 2.94Å; A249-A252 PolarHBondContact O-N 3.02Å; A249-Y253 PolarHBondContact O-N 3.44Å |
| 250 | A | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y214 V217 A246 E247 D248 Y253 D254 N268 F269 | Y214-A250 VanDerWaalsContact CB-CB 3.41Å; Y214-A250 HydrophobicContact CD1-CB 3.99Å; Y214-A250 HydrophobicContact CD2-CB 3.78Å; Y214-A250 HydrophobicContact CG-CB 3.46Å; Y214-A250 VanDerWaalsContact CG-CB 3.46Å; V217-A250 HydrophobicContact CG2-CB 3.94Å; A246-A250 VanDerWaalsContact O-CB 3.26Å; A246-A250 WeakPolarHBondContact O-CB 3.39Å; A246-A250 PolarHBondContact O-N 2.82Å; E247-A250 WeakPolarHBondContact O-CB 3.33Å; E247-A250 PolarHBondContact O-N 2.99Å; D248-A250 PolarHBondContact O-N 3.5Å; A250-Y253 PolarHBondContact O-N 3.15Å; A250-D254 WeakPolarHBondContact O-CB 3.33Å; A250-D254 VanDerWaalsContact O-CG 3.32Å; A250-D254 PolarHBondContact O-N 3.47Å; A250-N268 HydrophobicContact CB-CB 4.38Å; A250-F269 HydrophobicContact CB-CE2 3.67Å; A250-F269 HydrophobicContact CB-CZ 4.25Å |
| 251 | M | 95.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 55.7 Ų | 55.7 | 21% | 0.207 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 170.9 | -77.1 | -166 | -67.8 | 0 | 0 | 112 | E247 D248 Y253 D254 R255 F269 R272 | E247-M251 WeakPolarHBondContact O-CG 3.46Å; E247-M251 PolarHBondContact O-N 3.15Å; D248-M251 HydrophobicContact CB-CE 4.31Å; D248-M251 PolarHBondContact O-N 2.8Å; D248-M251 WeakPolarHBondContact OD1-CE 3.35Å; M251-Y253 VanDerWaalsContact C-N 3.33Å; M251-Y253 PolarHBondContact O-N 3.23Å; M251-D254 PolarHBondContact O-N 2.92Å; M251-R255 WeakPolarHBondContact O-CG 3.3Å; M251-R255 PolarHBondContact O-N 3.29Å; M251-F269 HydrophobicContact CG-CD2 4Å; M251-F269 HydrophobicContact CG-CE2 4.03Å; M251-R272 PolarHBondContact SD-NH1 2.85Å |
| 252 | A | 96.6 | Very high | 95 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F243 D248 A249 E256 | F243-A252 HydrophobicContact CE1-CB 3.9Å; F243-A252 HydrophobicContact CE2-CB 3.81Å; F243-A252 HydrophobicContact CZ-CB 3.32Å; D248-A252 PolarHBondContact O-N 3.46Å; A249-A252 PolarHBondContact O-N 3.02Å; A252-E256 PolarHBondContact O-N 3.04Å |
| 253 | Y | 97 | Very high | 94.6 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 171.6 | -178.1 | -82.4 | 0 | 0 | 0 | 112.4 | R215 E228 I229 L240 A249 A250 M251 R255 E256 A257 | R215-Y253 HydrophobicContact CG-CE1 4.37Å; R215-Y253 VanDerWaalsContact NE-CE1 3.27Å; R215-Y253 WeakPolarHBondContact O-CD1 3.35Å; E228-Y253 WeakPolarHBondContact O-CD2 3.47Å; E228-Y253 WeakPolarHBondContact O-CE2 3.48Å; I229-Y253 HydrophobicContact CB-CD2 4.21Å; I229-Y253 HydrophobicContact CB-CE2 3.9Å; I229-Y253 HydrophobicContact CD1-CD2 4.37Å; I229-Y253 HydrophobicContact CD1-CE1 4.4Å; I229-Y253 HydrophobicContact CD1-CE2 3.91Å; I229-Y253 HydrophobicContact CG1-CD2 4.47Å; I229-Y253 HydrophobicContact CG1-CE2 3.8Å; L240-Y253 HydrophobicContact CD1-CD2 4.43Å; A249-Y253 PolarHBondContact O-N 3.44Å; A250-Y253 PolarHBondContact O-N 3.15Å; M251-Y253 VanDerWaalsContact C-N 3.33Å; M251-Y253 PolarHBondContact O-N 3.23Å; Y253-R255 PolarHBondContact O-N 2.98Å; Y253-E256 PolarHBondContact O-N 2.92Å; Y253-A257 HydrophobicContact CD1-CB 4.13Å; Y253-A257 HydrophobicContact CE1-CB 3.75Å; Y253-A257 WeakPolarHBondContact O-CB 3.31Å; Y253-A257 PolarHBondContact O-N 3.31Å |
| 254 | D | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -37.6 | -176.6 | -77 | -5.7 | 0 | 0 | 0 | 112.6 | R215 A250 M251 E256 A257 F258 L267 N268 F269 F273 | R215-D254 IonicContact NH2-OD1 2.84Å; R215-D254 PolarHBondContact NH2-OD1 3.41Å; A250-D254 WeakPolarHBondContact O-CB 3.33Å; A250-D254 VanDerWaalsContact O-CG 3.32Å; A250-D254 PolarHBondContact O-N 3.47Å; M251-D254 PolarHBondContact O-N 2.92Å; D254-E256 VanDerWaalsContact C-N 3.33Å; D254-E256 PolarHBondContact O-N 3.5Å; D254-A257 PolarHBondContact O-N 3.13Å; D254-F258 VanDerWaalsContact O-CB 3.28Å; D254-F258 WeakPolarHBondContact O-CB 3.24Å; D254-F258 PolarHBondContact O-N 3.03Å; D254-L267 HydrophobicContact CB-CB 4.48Å; D254-L267 HydrophobicContact CB-CD2 3.95Å; D254-L267 WeakPolarHBondContact OD1-CA 3.4Å; D254-N268 PolarHBondContact OD1-N 2.86Å; D254-N268 PolarHBondContact OD1-ND2 3.41Å; D254-N268 WeakPolarHBondContact OD2-CA 3.36Å; D254-N268 VanDerWaalsContact OD2-CB 3.31Å; D254-N268 WeakPolarHBondContact OD2-CB 3.43Å; D254-N268 PolarHBondContact OD2-N 2.76Å; D254-F269 PolarHBondContact OD2-N 3.45Å; D254-F273 HydrophobicContact CB-CD2 4.29Å; D254-F273 HydrophobicContact CB-CE2 3.4Å; D254-F273 HydrophobicContact CB-CZ 3.53Å |
| 255 | R | 95.2 | Very high | 93.9 | Very high | 130 Ų | 130 | 58.2 Ų | 58.2 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.7 | -46 | 173.8 | -72.7 | 172.5 | -171.9 | 166.6 | 6.5 | 111.7 | M251 Y253 K259 F273 | M251-R255 WeakPolarHBondContact O-CG 3.3Å; M251-R255 PolarHBondContact O-N 3.29Å; Y253-R255 PolarHBondContact O-N 2.98Å; R255-K259 WeakPolarHBondContact O-CG 3.49Å; R255-K259 PolarHBondContact O-N 3.18Å; R255-K259 VanDerWaalsContact O-N 3.15Å; R255-F273 HydrophobicContact CB-CE1 4.42Å; R255-F273 HydrophobicContact CG-CE1 3.92Å; R255-F273 HydrophobicContact CG-CZ 3.86Å |
| 256 | E | 95.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 23% | 0.229 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -78 | -34.1 | -180 | -58.6 | -50.2 | 126.8 | 0 | 0 | 112.6 | I229 L240 A252 Y253 D254 F258 K259 L260 | I229-E256 HydrophobicContact CD1-CB 4.39Å; L240-E256 HydrophobicContact CD1-CB 4.01Å; L240-E256 HydrophobicContact CD1-CG 3.93Å; L240-E256 HydrophobicContact CD2-CB 4.15Å; L240-E256 HydrophobicContact CD2-CG 3.72Å; L240-E256 HydrophobicContact CG-CG 4.4Å; A252-E256 PolarHBondContact O-N 3.04Å; Y253-E256 PolarHBondContact O-N 2.92Å; D254-E256 VanDerWaalsContact C-N 3.33Å; D254-E256 PolarHBondContact O-N 3.5Å; E256-F258 VanDerWaalsContact C-N 3.34Å; E256-F258 PolarHBondContact O-N 2.99Å; E256-K259 PolarHBondContact O-N 3.15Å; E256-K259 WeakPolarHBondContact OE1-CE 3.33Å; E256-K259 IonicContact OE1-NZ 2.64Å; E256-K259 PolarHBondContact OE1-NZ 3.36Å; E256-K259 VanDerWaalsContact OE2-CD 3.3Å; E256-K259 WeakPolarHBondContact OE2-CD 3.3Å; E256-K259 IonicContact OE2-NZ 2.98Å; E256-K259 PolarHBondContact OE2-NZ 3.48Å; E256-L260 WeakPolarHBondContact O-CB 3.41Å; E256-L260 VanDerWaalsContact O-CG 3.23Å; E256-L260 WeakPolarHBondContact O-CG 3.28Å; E256-L260 PolarHBondContact O-N 3.06Å |
| 257 | A | 94.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | I229 Y253 D254 L260 R261 L267 | I229-A257 HydrophobicContact CD1-CB 3.82Å; Y253-A257 HydrophobicContact CD1-CB 4.13Å; Y253-A257 HydrophobicContact CE1-CB 3.75Å; Y253-A257 WeakPolarHBondContact O-CB 3.31Å; Y253-A257 PolarHBondContact O-N 3.31Å; D254-A257 PolarHBondContact O-N 3.13Å; A257-L260 PolarHBondContact O-N 2.86Å; A257-R261 PolarHBondContact O-N 3.36Å; A257-L267 HydrophobicContact CB-CD2 3.92Å |
| 258 | F | 93.9 | Very high | 93.4 | Very high | 67 Ų | 67 | 62 Ų | 62 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 175.2 | -171.4 | -102.1 | 0 | 0 | 0 | 111.7 | D254 E256 L260 G262 L267 F273 F274 | D254-F258 VanDerWaalsContact O-CB 3.28Å; D254-F258 WeakPolarHBondContact O-CB 3.24Å; D254-F258 PolarHBondContact O-N 3.03Å; E256-F258 VanDerWaalsContact C-N 3.34Å; E256-F258 PolarHBondContact O-N 2.99Å; F258-L260 VanDerWaalsContact C-N 3.27Å; F258-L260 PolarHBondContact O-N 3.07Å; F258-G262 WeakPolarHBondContact CD2-O 3.47Å; F258-G262 WeakPolarHBondContact O-CA 3.48Å; F258-G262 PolarHBondContact O-N 2.84Å; F258-L267 HydrophobicContact CB-CD2 4.35Å; F258-L267 HydrophobicContact CD2-CD1 4.23Å; F258-F273 HydrophobicContact CB-CD1 4.07Å; F258-F273 HydrophobicContact CB-CE1 4.38Å; F258-F273 HydrophobicContact CD1-CD1 4.34Å; F258-F273 HydrophobicContact CD2-CB 4.32Å; F258-F273 HydrophobicContact CD2-CD1 4.45Å; F258-F273 HydrophobicContact CE2-CB 4.48Å; F258-F273 HydrophobicContact CG-CD1 4.04Å; F258-F274 HydrophobicContact CE2-CE1 4.25Å |
| 259 | K | 93 | Very high | 93.3 | Very high | 148 Ų | 148 | 60.8 Ų | 60.8 | 64% | 0.643 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.4 | -34.7 | 173 | -72.4 | 166.6 | 179.9 | 177.1 | 0 | 113.4 | R255 E256 | R255-K259 WeakPolarHBondContact O-CG 3.49Å; R255-K259 PolarHBondContact O-N 3.18Å; R255-K259 VanDerWaalsContact O-N 3.15Å; E256-K259 PolarHBondContact O-N 3.15Å; E256-K259 WeakPolarHBondContact OE1-CE 3.33Å; E256-K259 IonicContact OE1-NZ 2.64Å; E256-K259 PolarHBondContact OE1-NZ 3.36Å; E256-K259 VanDerWaalsContact OE2-CD 3.3Å; E256-K259 WeakPolarHBondContact OE2-CD 3.3Å; E256-K259 IonicContact OE2-NZ 2.98Å; E256-K259 PolarHBondContact OE2-NZ 3.48Å |
| 260 | L | 91.8 | Very high | 92.9 | Very high | 79 Ų | 79 | 63.3 Ų | 63.3 | 41% | 0.414 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86.5 | -30.4 | -174.9 | -71.3 | 170.2 | 0 | 0 | 0 | 114.9 | I229 L231 E256 A257 F258 | I229-L260 HydrophobicContact CD1-CD1 3.76Å; I229-L260 HydrophobicContact CG1-CD1 4.12Å; I229-L260 HydrophobicContact CG2-CD1 4.32Å; L231-L260 HydrophobicContact CD2-CD1 3.45Å; L231-L260 VanDerWaalsContact CD2-CD1 3.45Å; L231-L260 HydrophobicContact CD2-CD2 3.75Å; L231-L260 HydrophobicContact CD2-CG 4.27Å; E256-L260 WeakPolarHBondContact O-CB 3.41Å; E256-L260 VanDerWaalsContact O-CG 3.23Å; E256-L260 WeakPolarHBondContact O-CG 3.28Å; E256-L260 PolarHBondContact O-N 3.06Å; A257-L260 PolarHBondContact O-N 2.86Å; F258-L260 VanDerWaalsContact C-N 3.27Å; F258-L260 PolarHBondContact O-N 3.07Å |
| 261 | R | 90.9 | Very high | 92.5 | Very high | 153 Ų | 153 | 68.7 Ų | 68.7 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -121.5 | -6.7 | -176.2 | -159.5 | -179 | -69.2 | -162.3 | -2.9 | 113.8 | A257 N264 A265 | A257-R261 PolarHBondContact O-N 3.36Å; R261-N264 WeakPolarHBondContact CD-O 3.23Å; R261-N264 HydrophobicContact CG-CB 4.21Å; R261-A265 HydrophobicContact CB-CB 4.11Å |
| 262 | G | 89.5 | Confident | 91.9 | Very high | 28 Ų | 28 | 74 Ų | 74 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | 63.7 | -144.9 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | F258 N264 A265 | F258-G262 WeakPolarHBondContact CD2-O 3.47Å; F258-G262 WeakPolarHBondContact O-CA 3.48Å; F258-G262 PolarHBondContact O-N 2.84Å; G262-N264 PolarHBondContact O-N 2.87Å; G262-N264 VanDerWaalsContact O-N 3.14Å; G262-A265 WeakPolarHBondContact O-CB 3.43Å; G262-A265 PolarHBondContact O-N 2.99Å |
| 263 | E | 87.7 | Confident | 91.3 | Very high | 130 Ų | 130 | 75.9 Ų | 75.9 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -61.5 | -21.8 | -179.6 | -63.4 | 173 | -173.8 | 0 | 0 | 113.9 | A265 F274 | E263-A265 PolarHBondContact O-N 3.21Å; E263-F274 HydrophobicContact CB-CE1 3.94Å; E263-F274 HydrophobicContact CG-CE1 4.18Å; E263-F274 VanDerWaalsContact O-CZ 3.25Å; E263-F274 WeakPolarHBondContact O-CZ 3.13Å |
| 264 | N | 86.8 | Confident | 90.4 | Very high | 137 Ų | 137 | 75.9 Ų | 75.9 | 73% | 0.733 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -81.8 | 5.9 | 175.5 | -65.3 | -42.7 | 0 | 0 | 0 | 113.1 | R261 G262 R266 | R261-N264 WeakPolarHBondContact CD-O 3.23Å; R261-N264 HydrophobicContact CG-CB 4.21Å; G262-N264 PolarHBondContact O-N 2.87Å; G262-N264 VanDerWaalsContact O-N 3.14Å; N264-R266 PolarHBondContact O-N 3.33Å |
| 265 | A | 90.9 | Very high | 89 | Confident | 10 Ų | 10 | 79.1 Ų | 79.1 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | | | trans | -63.8 | 123.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | R261 G262 E263 L267 | R261-A265 HydrophobicContact CB-CB 4.11Å; G262-A265 WeakPolarHBondContact O-CB 3.43Å; G262-A265 PolarHBondContact O-N 2.99Å; E263-A265 PolarHBondContact O-N 3.21Å; A265-L267 HydrophobicContact CB-CD2 3.56Å; A265-L267 HydrophobicContact CB-CG 3.98Å; A265-L267 PolarHBondContact O-N 2.87Å |
| 266 | R | 91.3 | Very high | 87.3 | Confident | 160 Ų | 160 | 83 Ų | 83 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | | | trans | -72.1 | 109.9 | 161.4 | -67.6 | 176 | 68.6 | 176.6 | 0.8 | 106.5 | R215 N264 | R215-R266 PolarHBondContact NE-O 3.22Å; R215-R266 PolarHBondContact NH1-O 2.84Å; R215-R266 PolarHBondContact NH2-O 3.03Å; N264-R266 PolarHBondContact O-N 3.33Å |
| 267 | L | 93.5 | Very high | 85.4 | Confident | 20 Ų | 20 | 83.8 Ų | 83.8 | 11% | 0.105 | 43% | 0.426 | C | S | . | . | | | trans | -102.7 | 166.9 | -179.1 | -58.7 | -176.9 | 0 | 0 | 0 | 111.4 | R215 D254 A257 F258 A265 F273 F274 | R215-L267 PolarHBondContact NH1-O 2.89Å; R215-L267 VanDerWaalsContact NH2-CA 3.29Å; D254-L267 HydrophobicContact CB-CB 4.48Å; D254-L267 HydrophobicContact CB-CD2 3.95Å; D254-L267 WeakPolarHBondContact OD1-CA 3.4Å; A257-L267 HydrophobicContact CB-CD2 3.92Å; F258-L267 HydrophobicContact CB-CD2 4.35Å; F258-L267 HydrophobicContact CD2-CD1 4.23Å; A265-L267 HydrophobicContact CB-CD2 3.56Å; A265-L267 HydrophobicContact CB-CG 3.98Å; A265-L267 PolarHBondContact O-N 2.87Å; L267-F273 HydrophobicContact CD1-CB 3.56Å; L267-F273 HydrophobicContact CD1-CD1 4.36Å; L267-F273 HydrophobicContact CD1-CD2 3.61Å; L267-F273 HydrophobicContact CD1-CE2 4.43Å; L267-F273 HydrophobicContact CD1-CG 3.57Å; L267-F274 HydrophobicContact CD1-CE2 4.08Å; L267-F274 HydrophobicContact CD1-CZ 4.46Å |
| 268 | N | 93.4 | Very high | 83.6 | Confident | 35 Ų | 35 | 90.2 Ų | 90.2 | 19% | 0.187 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -86.9 | -39.4 | 170.3 | -64.9 | -64.3 | 0 | 0 | 0 | 110.3 | Y214 R215 A250 D254 P270 | Y214-N268 HydrophobicContact CD1-CB 4.18Å; R215-N268 WeakPolarHBondContact CB-OD1 3.49Å; R215-N268 PolarHBondContact N-OD1 3.5Å; R215-N268 PolarHBondContact NH2-ND2 3.38Å; R215-N268 VanDerWaalsContact NH2-ND2 3.15Å; R215-N268 PolarHBondContact O-ND2 3.31Å; R215-N268 VanDerWaalsContact O-ND2 3.15Å; A250-N268 HydrophobicContact CB-CB 4.38Å; D254-N268 PolarHBondContact OD1-N 2.86Å; D254-N268 PolarHBondContact OD1-ND2 3.41Å; D254-N268 WeakPolarHBondContact OD2-CA 3.36Å; D254-N268 VanDerWaalsContact OD2-CB 3.31Å; D254-N268 WeakPolarHBondContact OD2-CB 3.43Å; D254-N268 PolarHBondContact OD2-N 2.76Å; N268-P270 WeakPolarHBondContact O-CD 3.41Å |
| 269 | F | 92.4 | Very high | 81.6 | Confident | 33 Ų | 33 | 90.8 Ų | 90.8 | 15% | 0.145 | 47% | 0.467 | C | S | . | . | | | trans | -120.1 | 70.2 | 179.6 | -53.1 | -66.8 | 0 | 0 | 0 | 111.2 | Y214 E247 A250 M251 D254 D271 R272 F273 | Y214-F269 HydrophobicContact CD1-CZ 4.15Å; Y214-F269 AromaticContact CE1-CE1 3.82Å; Y214-F269 HydrophobicContact CE1-CE1 3.82Å; Y214-F269 AromaticContact CE1-CZ 3.58Å; Y214-F269 HydrophobicContact CE1-CZ 3.58Å; Y214-F269 AromaticContact CZ-CZ 3.83Å; E247-F269 HydrophobicContact CB-CZ 4.39Å; A250-F269 HydrophobicContact CB-CE2 3.67Å; A250-F269 HydrophobicContact CB-CZ 4.25Å; M251-F269 HydrophobicContact CG-CD2 4Å; M251-F269 HydrophobicContact CG-CE2 4.03Å; D254-F269 PolarHBondContact OD2-N 3.45Å; F269-D271 PolarHBondContact O-N 2.85Å; F269-R272 HydrophobicContact CB-CB 4.29Å; F269-R272 HydrophobicContact CB-CG 4.02Å; F269-R272 PolarHBondContact O-N 3.38Å; F269-F273 WeakPolarHBondContact O-CD2 3.15Å |
| 270 | P | 89.5 | Confident | 79.4 | Confident | 54 Ų | 54 | 87.4 Ų | 87.4 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -53.5 | -39.7 | -177.8 | 22.7 | -33.5 | 0 | 0 | 0 | 112.5 | N268 R272 F273 F274 | N268-P270 WeakPolarHBondContact O-CD 3.41Å; P270-R272 PolarHBondContact O-N 2.83Å; P270-F273 PolarHBondContact O-N 2.73Å; P270-F274 HydrophobicContact CB-CD2 3.87Å; P270-F274 HydrophobicContact CB-CE2 4.03Å; P270-F274 VanDerWaalsContact O-CD2 3.24Å; P270-F274 WeakPolarHBondContact O-CD2 3.25Å; P270-F274 PolarHBondContact O-N 2.92Å |
| 271 | D | 87 | Confident | 77.1 | Confident | 112 Ų | 112 | 87 Ų | 87 | 60% | 0.599 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -58.1 | -18.7 | -179.2 | -43.4 | -44 | 0 | 0 | 0 | 114.4 | F269 | F269-D271 PolarHBondContact O-N 2.85Š|
| 272 | R | 84.6 | Confident | 75.1 | Confident | 154 Ų | 154 | 86.1 Ų | 86.1 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -91 | -17.6 | 179.9 | -64.4 | -174 | 179.9 | -176.9 | 1.1 | 114 | M251 F269 P270 | M251-R272 PolarHBondContact SD-NH1 2.85Å; F269-R272 HydrophobicContact CB-CB 4.29Å; F269-R272 HydrophobicContact CB-CG 4.02Å; F269-R272 PolarHBondContact O-N 3.38Å; P270-R272 PolarHBondContact O-N 2.83Å |
| 273 | F | 82.6 | Confident | 73 | Confident | 52 Ų | 52 | 87.7 Ų | 87.7 | 23% | 0.228 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -34.6 | -176.4 | -69.5 | -92.8 | 0 | 0 | 0 | 112.1 | D254 R255 F258 L267 F269 P270 G275 | D254-F273 HydrophobicContact CB-CD2 4.29Å; D254-F273 HydrophobicContact CB-CE2 3.4Å; D254-F273 HydrophobicContact CB-CZ 3.53Å; R255-F273 HydrophobicContact CB-CE1 4.42Å; R255-F273 HydrophobicContact CG-CE1 3.92Å; R255-F273 HydrophobicContact CG-CZ 3.86Å; F258-F273 HydrophobicContact CB-CD1 4.07Å; F258-F273 HydrophobicContact CB-CE1 4.38Å; F258-F273 HydrophobicContact CD1-CD1 4.34Å; F258-F273 HydrophobicContact CD2-CB 4.32Å; F258-F273 HydrophobicContact CD2-CD1 4.45Å; F258-F273 HydrophobicContact CE2-CB 4.48Å; F258-F273 HydrophobicContact CG-CD1 4.04Å; L267-F273 HydrophobicContact CD1-CB 3.56Å; L267-F273 HydrophobicContact CD1-CD1 4.36Å; L267-F273 HydrophobicContact CD1-CD2 3.61Å; L267-F273 HydrophobicContact CD1-CE2 4.43Å; L267-F273 HydrophobicContact CD1-CG 3.57Å; F269-F273 WeakPolarHBondContact O-CD2 3.15Å; P270-F273 PolarHBondContact O-N 2.73Å; F273-G275 PolarHBondContact O-N 2.74Å |
| 274 | F | 78.5 | Confident | 71.1 | Confident | 34 Ų | 34 | 93 Ų | 93 | 15% | 0.149 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -90.1 | 106.6 | 176.8 | -60.3 | -67.5 | 0 | 0 | 0 | 110.1 | F258 E263 L267 P270 K276 Y278 | F258-F274 HydrophobicContact CE2-CE1 4.25Å; E263-F274 HydrophobicContact CB-CE1 3.94Å; E263-F274 HydrophobicContact CG-CE1 4.18Å; E263-F274 VanDerWaalsContact O-CZ 3.25Å; E263-F274 WeakPolarHBondContact O-CZ 3.13Å; L267-F274 HydrophobicContact CD1-CE2 4.08Å; L267-F274 HydrophobicContact CD1-CZ 4.46Å; P270-F274 HydrophobicContact CB-CD2 3.87Å; P270-F274 HydrophobicContact CB-CE2 4.03Å; P270-F274 VanDerWaalsContact O-CD2 3.24Å; P270-F274 WeakPolarHBondContact O-CD2 3.25Å; P270-F274 PolarHBondContact O-N 2.92Å; F274-K276 PolarHBondContact O-N 2.79Å; F274-Y278 HydrophobicContact CB-CD2 3.58Å; F274-Y278 HydrophobicContact CB-CE2 4.4Å; F274-Y278 HydrophobicContact CB-CG 3.76Å; F274-Y278 HydrophobicContact CD1-CD2 4.49Å; F274-Y278 HydrophobicContact CD1-CG 4.38Å; F274-Y278 HydrophobicContact CG-CD2 4.39Å; F274-Y278 HydrophobicContact CG-CG 4.23Å |
| 275 | G | 65.9 | Low | 69.3 | Low | 67 Ų | 67 | 93 Ų | 93 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | | | trans | -59.1 | 102.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F273 G277 | F273-G275 PolarHBondContact O-N 2.74Å; G275-G277 PolarHBondContact O-N 3.3Å |
| 276 | K | 59.4 | Low | 67.1 | Low | 213 Ų | 213 | 98.6 Ų | 98.6 | 93% | 0.926 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 52.2 | -7.4 | 166.4 | -121.3 | 87 | 174.7 | -162.3 | 0 | 119.5 | F274 | F274-K276 PolarHBondContact O-N 2.79Š|
| 277 | G | 56.2 | Low | 65 | Low | 64 Ų | 64 | 94.7 Ų | 94.7 | 66% | 0.66 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -117.7 | 2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | G275 | G275-G277 PolarHBondContact O-N 3.3Š|
| 278 | Y | 55.7 | Low | 63 | Low | 144 Ų | 144 | 99.5 Ų | 99.5 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | | | trans | -123 | 7.8 | -172.8 | -54.6 | -103.8 | 0 | 0 | 0 | 113.3 | F274 G280 | F274-Y278 HydrophobicContact CB-CD2 3.58Å; F274-Y278 HydrophobicContact CB-CE2 4.4Å; F274-Y278 HydrophobicContact CB-CG 3.76Å; F274-Y278 HydrophobicContact CD1-CD2 4.49Å; F274-Y278 HydrophobicContact CD1-CG 4.38Å; F274-Y278 HydrophobicContact CG-CD2 4.39Å; F274-Y278 HydrophobicContact CG-CG 4.23Å; Y278-G280 VanDerWaalsContact C-N 3.26Å; Y278-G280 PolarHBondContact O-N 2.97Å |
| 279 | A | 53 | Low | 60.9 | Low | 80 Ų | 80 | 104.6 Ų | 104.6 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -76.9 | 71.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 280 | G | 46.4 | Very low | 58.5 | Low | 76 Ų | 76 | 107.4 Ų | 107.4 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 136 | 87.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y278 | Y278-G280 VanDerWaalsContact C-N 3.26Å; Y278-G280 PolarHBondContact O-N 2.97Å |
| 281 | G | 44.7 | Very low | 56.4 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | | | trans | -168.4 | 48.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | G283 | G281-G283 PolarHBondContact O-N 3.14Š|
| 282 | S | 48.7 | Very low | 54.4 | Low | 135 Ų | 135 | 109 Ų | 109 | 94% | 0.944 | 71% | 0.71 | S | S | * | * | | | trans | -72 | 77.4 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 283 | G | 43.8 | Very low | 52.8 | Low | 60 Ų | 60 | 106.8 Ų | 106.8 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 94.5 | 156.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | G281 | G281-G283 PolarHBondContact O-N 3.14Š|
| 284 | R | 49.6 | Very low | 51.2 | Low | 241 Ų | 241 | 110.7 Ų | 110.7 | 91% | 0.909 | 74% | 0.744 | S | S | * | * | | | trans | 68 | 85.6 | 167.7 | -45.3 | 173.7 | 82.1 | -175 | 6.6 | 115.7 | | |
| 285 | T | 48.5 | Very low | 49.4 | Very low | 139 Ų | 139 | 114.2 Ų | 114.2 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | | 175.8 | 133.2 | 98.4 | 38.4 | 0 | 0 | 0 | 0 | 111.5 | A287 | T285-A287 PolarHBondContact O-N 3.39Š|
| 286 | S | 44.1 | Very low | 48.5 | Very low | 127 Ų | 127 | 115.6 Ų | 115.6 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | | | trans | -81.9 | 99.4 | 166.8 | 50 | 0 | 0 | 0 | 0 | 110 | | |
| 287 | A | 46.9 | Very low | 47.9 | Very low | 78 Ų | 78 | 110 Ų | 110 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | | | trans | -154.4 | 98 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T285 | T285-A287 PolarHBondContact O-N 3.39Š|
| 288 | T | 51.6 | Low | 47.4 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 38.3 | 114.7 | 148 | 49.9 | 0 | 0 | 0 | 0 | 120.9 | A290 | T288-A290 PolarHBondContact O-N 2.99Š|
| 289 | P | 49.3 | Very low | 47.2 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | | | trans | -86.4 | 92.6 | 150.6 | 33.7 | -26.8 | 0 | 0 | 0 | 109.5 | | |
| 290 | A | 42.4 | Very low | 46.9 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -138.8 | 63.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T288 | T288-A290 PolarHBondContact O-N 2.99Š|
| 291 | A | 45.5 | Very low | 47 | Very low | 94 Ų | 94 | 112.7 Ų | 112.7 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | -152.1 | 87.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 292 | A | 45.4 | Very low | 47.3 | Very low | 107 Ų | 107 | 116 Ų | 116 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | -84.9 | 137.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 293 | P | 50.7 | Low | 47.5 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | | | trans | -133.8 | 144.6 | 146.2 | 34.4 | -21.7 | 0 | 0 | 0 | 114.2 | | |
| 294 | T | 48.5 | Very low | 47.8 | Very low | 135 Ų | 135 | 118.3 Ų | 118.3 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | | | trans | 63.8 | 108.8 | 146.6 | 52.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 295 | A | 40.3 | Very low | 47.9 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -65.1 | 140 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 296 | A | 47.5 | Very low | 48.1 | Very low | 95 Ų | 95 | 111.3 Ų | 111.3 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | -158.3 | 138.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 297 | A | 47.8 | Very low | 48.9 | Very low | 95 Ų | 95 | 110.6 Ų | 110.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | 45.3 | 107 | 168 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 298 | A | 46.2 | Very low | 49.5 | Very low | 91 Ų | 91 | 112.5 Ų | 112.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | | 61.1 | 128.4 | 56 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 299 | S | 51.2 | Low | 49.4 | Very low | 132 Ų | 132 | 115.6 Ų | 115.6 | 92% | 0.923 | 82% | 0.817 | S | S | * | * | | | trans | 79.3 | 126.3 | -173.7 | -35.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 300 | G | 45.7 | Very low | 49.4 | Very low | 69 Ų | 69 | 114.8 Ų | 114.8 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | cis | 176.7 | -168.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 301 | S | 48.4 | Very low | 50.5 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | 77 | 90.4 | 166 | -53.8 | 0 | 0 | 0 | 0 | 118 | | |
| 302 | T | 51.1 | Low | 50.5 | Low | 142 Ų | 142 | 119 Ų | 119 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | | | trans | -62.8 | 144.7 | 160.1 | 48.1 | 0 | 0 | 0 | 0 | 114 | | |
| 303 | S | 52.4 | Low | 50.9 | Low | 126 Ų | 126 | 121.8 Ų | 121.8 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | | | trans | -154.1 | 123.2 | 141.7 | 55 | 0 | 0 | 0 | 0 | 111.1 | | |
| 304 | S | 50.2 | Low | 50.7 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -99.1 | 142.2 | 179.1 | 56 | 0 | 0 | 0 | 0 | 111.5 | | |
| 305 | S | 51.4 | Low | 50.6 | Low | 124 Ų | 124 | 120.4 Ų | 120.4 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | | | trans | -143.7 | 129.9 | 155.4 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 306 | S | 53.4 | Low | 50.9 | Low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 163.4 | -166.5 | -49.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 307 | P | 60.6 | Low | 50.7 | Low | 111 Ų | 111 | 125.3 Ų | 125.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 139.3 | 169.3 | 32.8 | -33.6 | 0 | 0 | 0 | 112.2 | | |
| 308 | P | 60.3 | Low | 50.5 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 120.3 | 158.6 | 32.4 | -28.4 | 0 | 0 | 0 | 108.7 | | |
| 309 | Q | 50.3 | Low | 50.5 | Low | 187 Ų | 187 | 131.5 Ų | 131.5 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | | 69.1 | 117.5 | 75.9 | -70.1 | -172.2 | 38.6 | 0 | 0 | 114.2 | | |
| 310 | T | 49 | Very low | 50.3 | Low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 141.8 | 170.7 | 42.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 311 | P | 64.2 | Low | 50.7 | Low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 126.6 | 157.8 | 31.4 | -24.2 | 0 | 0 | 0 | 110.4 | | |
| 312 | D | 45.9 | Very low | 50.6 | Low | 150 Ų | 150 | 132.5 Ų | 132.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.9 | 162.9 | -65.8 | -74.2 | 0 | 0 | 0 | 110.2 | | |
| 313 | D | 53.5 | Low | 50.4 | Low | 166 Ų | 166 | 129.4 Ų | 129.4 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -136.9 | 104.1 | 169.2 | -129 | -23.1 | 0 | 0 | 0 | 109.1 | | |
| 314 | P | 48.1 | Very low | 49.9 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | trans | -99.4 | 156 | -178.4 | 36.1 | -32.1 | 0 | 0 | 0 | 112.9 | | |
| 315 | S | 45.1 | Very low | 49.4 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 91.2 | 112.2 | 169.4 | -44.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 316 | T | 45.9 | Very low | 48.8 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | | | | -143.2 | 116.9 | 117.7 | -72.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 317 | Q | 44.9 | Very low | 48.4 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -75.1 | 140 | 173.1 | -66.3 | 167.6 | -44.5 | 0 | 0 | 110 | | |
| 318 | Q | 42.8 | Very low | 47.5 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | | | trans | -145.3 | 99 | 141.9 | -108.8 | 174.5 | 21.8 | 0 | 0 | 109.7 | | |
| 319 | T | 45.7 | Very low | 46.7 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | trans | -87.4 | -178.5 | 168.6 | 46.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 320 | P | 48.6 | Very low | 46.2 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | -130 | -131.5 | -55.5 | 40.8 | -21.9 | 0 | 0 | 0 | 106.7 | | |
| 321 | P | 52.7 | Low | 46 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 57% | 0.571 | 76% | 0.763 | S | S | * | * | | | cis | -125.3 | -170.9 | -38.6 | 38.8 | -22.3 | 0 | 0 | 0 | 112.6 | | |
| 322 | D | 46.7 | Very low | 45 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | trans | 62.8 | 159.7 | 150.3 | -58.3 | -23.8 | 0 | 0 | 0 | 119.8 | | |
| 323 | A | 47.8 | Very low | 45.2 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | -164.1 | 154.4 | -33.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 324 | E | 40.7 | Very low | 45.2 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | 50.4 | 118.7 | 146.3 | -63.2 | -79.3 | 96.7 | 0 | 0 | 120.7 | | |
| 325 | R | 40.2 | Very low | 45.2 | Very low | 226 Ų | 226 | 139 Ų | 139 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | 85.6 | 139.1 | 130.2 | -161.8 | 178.8 | -176.5 | -126.1 | 3.2 | 120.9 | | |
| 326 | S | 38.9 | Very low | 45.2 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | 79.4 | 117.3 | 153.8 | -91.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 327 | L | 44.8 | Very low | 45.1 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | | 56.3 | 117.7 | 126.8 | -96.7 | 68.5 | 0 | 0 | 0 | 122.1 | | |
| 328 | D | 40.9 | Very low | 45 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | | 68.9 | 130.4 | 127.8 | -87.2 | -49.1 | 0 | 0 | 0 | 123.7 | | |
| 329 | K | 45.1 | Very low | 45 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | 68.9 | 102.4 | 141.5 | -71.8 | -176.5 | 176.8 | -174.4 | 0 | 122.3 | | |
| 330 | Q | 39.1 | Very low | 44.7 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | | -9.8 | 132 | 128 | -179.1 | -170.1 | -20.3 | 0 | 0 | 117.2 | | |
| 331 | P | 44.1 | Very low | 44.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | -90.6 | 153.2 | 169.1 | 35.4 | -33 | 0 | 0 | 0 | 114.1 | | |
| 332 | Q | 43.5 | Very low | 44.3 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | -128 | 162 | 160.2 | -81 | -160.7 | -15.7 | 0 | 0 | 109.3 | | |
| 333 | P | 49.9 | Very low | 43.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -144.4 | 171 | 137.1 | 39.9 | -26.1 | 0 | 0 | 0 | 113.7 | | |
| 334 | P | 54.4 | Low | 43.8 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | cis | -141.9 | 154.7 | -46.4 | 41.4 | -25.7 | 0 | 0 | 0 | 115.7 | | |
| 335 | V | 46.7 | Very low | 43.7 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | | | trans | 34.2 | 129.1 | 145.4 | -49.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 336 | A | 46.7 | Very low | 43.8 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | | 165.6 | 144.2 | 110.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 337 | T | 42.7 | Very low | 43.7 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | cis | 174.6 | 120 | -26.2 | -88.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 338 | S | 42.3 | Very low | 44 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | 58 | 154.5 | 156.1 | -78.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 339 | S | 43.1 | Very low | 43.9 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | cis | -174.2 | -178.6 | -7.8 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 340 | Q | 40.7 | Very low | 43.6 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | 89.5 | 111.5 | 164.9 | -136 | 160 | 50.7 | 0 | 0 | 114.5 | | |
| 341 | L | 50.9 | Low | 43.7 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | | 60.7 | 132.2 | 68 | -57.3 | 166.3 | 0 | 0 | 0 | 111.3 | | |
| 342 | E | 41 | Very low | 43.4 | Very low | 180 Ų | 180 | 124.9 Ų | 124.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | cis | -159.1 | -177.7 | 1.2 | -107.1 | 168 | 99.9 | 0 | 0 | 107.3 | | |
| 343 | G | 39.1 | Very low | 43.2 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | cis | 152.7 | 137.2 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 344 | S | 44.1 | Very low | 42.8 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | | | trans | 64.2 | 160.8 | 179.1 | -103.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 345 | S | 39.3 | Very low | 42.3 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | cis | -174.5 | 147.5 | -20.2 | 44.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 346 | G | 41.5 | Very low | 42 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | 158.9 | 85.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 347 | E | 38.7 | Very low | 41.9 | Very low | 185 Ų | 185 | 126.3 Ų | 126.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | | | trans | -87.9 | -175.9 | 157.2 | -123.8 | -160.6 | 133.9 | 0 | 0 | 109.1 | | |
| 348 | P | 49.8 | Very low | 41.9 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | | | cis | -138.7 | -168.2 | -16.3 | 27.1 | -3 | 0 | 0 | 0 | 115.2 | | |
| 349 | T | 39.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | | | trans | 95.8 | 119 | 136.8 | 16.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 350 | L | 38.9 | Very low | 41.6 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | 51.9 | 145.6 | 132.6 | -100.8 | 71.2 | 0 | 0 | 0 | 120.1 | | |
| 351 | A | 41.4 | Very low | 41.3 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | cis | -162.1 | 177.9 | 4.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 352 | D | 38.2 | Very low | 41.2 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | | | trans | 92 | 167.5 | 141.3 | -148.8 | 19.3 | 0 | 0 | 0 | 120 | | |
| 353 | S | 39.5 | Very low | 41.4 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -119.6 | 156.4 | -136.3 | -43.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 354 | G | 41.4 | Very low | 41.1 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | trans | 168.9 | 74.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 355 | Q | 43.7 | Very low | 40.7 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | 42.8 | 122.5 | 135.4 | -62.4 | -125.3 | 21.7 | 0 | 0 | 122.2 | | |
| 356 | M | 39.9 | Very low | 40.7 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | 81.4 | 155.2 | 134.9 | -68.6 | -175.1 | 169 | 0 | 0 | 122.3 | | |
| 357 | I | 45 | Very low | 40.5 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | 100.6 | 80.5 | 159.4 | -44.7 | -170.8 | 0 | 0 | 0 | 118.9 | | |
| 358 | H | 41.8 | Very low | 40.7 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | | 64.8 | 128 | 127.9 | -76 | -86.4 | 0 | 0 | 0 | 125.6 | | |
| 359 | S | 37.6 | Very low | 40.5 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | 82.9 | 151 | 139.4 | -62.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 360 | P | 42.5 | Very low | 40.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | cis | -133.9 | -179.9 | -24.4 | 36.1 | -16.5 | 0 | 0 | 0 | 115.6 | | |
| 361 | E | 34.8 | Very low | 41.5 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -86.4 | 152.4 | -170.9 | 173.6 | -170.2 | 160.8 | 0 | 0 | 116.3 | | |
| 362 | P | 48.5 | Very low | 42.2 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | -112.1 | 154.8 | 147.2 | 37.4 | -28.3 | 0 | 0 | 0 | 112.8 | | |
| 363 | P | 43.6 | Very low | 42.9 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | -81.7 | 145.6 | -141.3 | 30 | -37.9 | 0 | 0 | 0 | 117 | G365 | P363-G365 PolarHBondContact O-N 3.31Š|
| 364 | A | 33.6 | Very low | 43.6 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | -66 | 119 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 365 | G | 34.9 | Very low | 44.4 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 73% | 0.734 | S | S | * | * | | | trans | -118 | 93.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P363 | P363-G365 PolarHBondContact O-N 3.31Š|
| 366 | S | 40.1 | Very low | 44.8 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | 48.8 | 83.7 | 163.1 | -62.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 367 | D | 37.6 | Very low | 45.6 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | | | trans | -63.1 | 129.3 | 160 | -166.1 | 18.8 | 0 | 0 | 0 | 110.6 | G369 | D367-G369 PolarHBondContact O-N 2.98Š|
| 368 | W | 43.2 | Very low | 46.3 | Very low | 245 Ų | 245 | 118.3 Ų | 118.3 | 93% | 0.928 | 70% | 0.697 | S | S | * | * | | | trans | -81.6 | 85.4 | 179.4 | -75.9 | 84.7 | 0 | 0 | 0 | 109.6 | | |
| 369 | G | 45.9 | Very low | 47.1 | Very low | 47 Ų | 47 | 117.9 Ų | 117.9 | 49% | 0.485 | 69% | 0.688 | S | S | . | * | | | trans | -56.7 | 161.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D367 A371 | D367-G369 PolarHBondContact O-N 2.98Å; G369-A371 PolarHBondContact O-N 3.44Å |
| 370 | P | 47.8 | Very low | 48.1 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -71.8 | 85.8 | -163.9 | 29.7 | -36.7 | 0 | 0 | 0 | 113 | | |
| 371 | A | 51.4 | Low | 48.2 | Very low | 70 Ų | 70 | 112 Ų | 112 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | | | trans | -98.9 | -3.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G369 W375 | G369-A371 PolarHBondContact O-N 3.44Å; A371-W375 PolarHBondContact O-N 2.93Å |
| 372 | D | 54.6 | Low | 49.3 | Very low | 96 Ų | 96 | 107.9 Ų | 107.9 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.1 | -37.6 | -177 | 62.3 | -33.8 | 0 | 0 | 0 | 112.5 | A374 W375 L376 | D372-A374 PolarHBondContact O-N 3.28Å; D372-W375 PolarHBondContact O-N 2.98Å; D372-L376 WeakPolarHBondContact O-CB 3.39Å; D372-L376 WeakPolarHBondContact O-CD1 3.27Å; D372-L376 PolarHBondContact O-N 2.69Å |
| 373 | E | 54 | Low | 49.3 | Very low | 142 Ų | 142 | 103.2 Ų | 103.2 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.9 | -44.5 | 179.8 | -62.5 | -163.7 | 170.7 | 0 | 0 | 113.1 | N377 | E373-N377 VanDerWaalsContact O-CB 3.29Å; E373-N377 WeakPolarHBondContact O-CB 3.35Å; E373-N377 PolarHBondContact O-N 3.42Å; E373-N377 PolarHBondContact O-ND2 3.09Å |
| 374 | A | 53.8 | Low | 49.9 | Very low | 73 Ų | 73 | 102.1 Ų | 102.1 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.6 | -36.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D372 N377 A378 | D372-A374 PolarHBondContact O-N 3.28Å; A374-N377 PolarHBondContact O-N 3.36Å; A374-A378 PolarHBondContact O-N 3.07Å; A374-A378 VanDerWaalsContact O-N 3.07Å |
| 375 | W | 59 | Low | 51.2 | Low | 181 Ų | 181 | 101.8 Ų | 101.8 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.7 | -38.8 | 177.4 | -177.5 | 61.3 | 0 | 0 | 0 | 112.2 | A371 D372 A378 W379 | A371-W375 PolarHBondContact O-N 2.93Å; D372-W375 PolarHBondContact O-N 2.98Å; W375-A378 PolarHBondContact O-N 3.16Å; W375-W379 PolarHBondContact O-N 2.72Å |
| 376 | L | 51.1 | Low | 52.1 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.3 | -41.8 | 168.5 | -102.2 | 80.8 | 0 | 0 | 0 | 111.6 | D372 A378 W379 G380 | D372-L376 WeakPolarHBondContact O-CB 3.39Å; D372-L376 WeakPolarHBondContact O-CD1 3.27Å; D372-L376 PolarHBondContact O-N 2.69Å; L376-A378 VanDerWaalsContact C-N 3.27Å; L376-A378 PolarHBondContact O-N 2.9Å; L376-W379 PolarHBondContact O-N 3.42Å; L376-G380 WeakPolarHBondContact O-CA 3.15Å; L376-G380 PolarHBondContact O-N 3.07Å |
| 377 | N | 56.1 | Low | 52.7 | Low | 118 Ų | 118 | 105.9 Ų | 105.9 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.5 | -25.2 | 179.8 | -73.3 | -27.8 | 0 | 0 | 0 | 113 | E373 A374 S383 | E373-N377 VanDerWaalsContact O-CB 3.29Å; E373-N377 WeakPolarHBondContact O-CB 3.35Å; E373-N377 PolarHBondContact O-N 3.42Å; E373-N377 PolarHBondContact O-ND2 3.09Å; A374-N377 PolarHBondContact O-N 3.36Å; N377-S383 VanDerWaalsContact O-CB 3.27Å; N377-S383 WeakPolarHBondContact O-CB 3.37Å |
| 378 | A | 60.7 | Low | 52.9 | Low | 47 Ų | 47 | 107.3 Ų | 107.3 | 39% | 0.388 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.5 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A374 W375 L376 S383 | A374-A378 PolarHBondContact O-N 3.07Å; A374-A378 VanDerWaalsContact O-N 3.07Å; W375-A378 PolarHBondContact O-N 3.16Å; L376-A378 VanDerWaalsContact C-N 3.27Å; L376-A378 PolarHBondContact O-N 2.9Å; A378-S383 WeakPolarHBondContact O-CB 3.29Å; A378-S383 PolarHBondContact O-OG 3.26Å |
| 379 | W | 58.1 | Low | 53.1 | Low | 163 Ų | 163 | 102.6 Ų | 102.6 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -122.4 | -7.7 | -170.9 | -66.3 | 93.5 | 0 | 0 | 0 | 115.5 | W375 L376 F385 W386 | W375-W379 PolarHBondContact O-N 2.72Å; L376-W379 PolarHBondContact O-N 3.42Å; W379-F385 AromaticContact CE3-CD1 3.84Å; W379-F385 HydrophobicContact CE3-CD1 3.84Å; W379-F385 AromaticContact CE3-CE1 3.56Å; W379-F385 HydrophobicContact CE3-CE1 3.56Å; W379-F385 HydrophobicContact CE3-CZ 4.18Å; W379-F385 HydrophobicContact CZ3-CD1 4.26Å; W379-F385 AromaticContact CZ3-CE1 3.89Å; W379-F385 HydrophobicContact CZ3-CE1 3.89Å; W379-F385 HydrophobicContact CZ3-CZ 4.06Å; W379-W386 PolarHBondContact O-NE1 3.05Å |
| 380 | G | 59 | Low | 53.4 | Low | 14 Ų | 14 | 106.6 Ų | 106.6 | 14% | 0.144 | 58% | 0.578 | C | S | . | * | S | Bend | trans | -89.3 | 178.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L376 G382 S383 W386 | L376-G380 WeakPolarHBondContact O-CA 3.15Å; L376-G380 PolarHBondContact O-N 3.07Å; G380-G382 PolarHBondContact O-N 2.84Å; G380-G382 VanDerWaalsContact O-N 3.16Å; G380-S383 WeakPolarHBondContact O-CB 3.06Å; G380-S383 PolarHBondContact O-N 3.32Å; G380-S383 VanDerWaalsContact O-N 3.09Å; G380-W386 VanDerWaalsContact O-CD1 3.25Å |
| 381 | P | 45.5 | Very low | 53.1 | Low | 96 Ų | 96 | 106.9 Ų | 106.9 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 111.7 | 179.5 | -14.9 | 30.4 | 0 | 0 | 0 | 111 | | |
| 382 | G | 56.6 | Low | 52.8 | Low | 71 Ų | 71 | 108.9 Ų | 108.9 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117 | -10.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G380 | G380-G382 PolarHBondContact O-N 2.84Å; G380-G382 VanDerWaalsContact O-N 3.16Å |
| 383 | S | 48.5 | Very low | 52 | Low | 16 Ų | 16 | 110 Ų | 110 | 11% | 0.112 | 59% | 0.594 | C | S | . | * | | | trans | -68.3 | 137.3 | 166.4 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | N377 A378 G380 F385 W386 | N377-S383 VanDerWaalsContact O-CB 3.27Å; N377-S383 WeakPolarHBondContact O-CB 3.37Å; A378-S383 WeakPolarHBondContact O-CB 3.29Å; A378-S383 PolarHBondContact O-OG 3.26Å; G380-S383 WeakPolarHBondContact O-CB 3.06Å; G380-S383 PolarHBondContact O-N 3.32Å; G380-S383 VanDerWaalsContact O-N 3.09Å; S383-F385 PolarHBondContact O-N 3.2Å; S383-F385 PolarHBondContact OG-N 3.11Å; S383-W386 PolarHBondContact O-N 3.04Å |
| 384 | S | 57 | Low | 51.3 | Low | 98 Ų | 98 | 113.9 Ų | 113.9 | 69% | 0.685 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -10.4 | 172.9 | -52.2 | 0 | 0 | 0 | 0 | 114.4 | W386 | S384-W386 VanDerWaalsContact C-N 3.3Š|
| 385 | F | 59.9 | Low | 50.5 | Low | 89 Ų | 89 | 114.3 Ų | 114.3 | 39% | 0.39 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -35.2 | 167.2 | 154.3 | -128.7 | 0 | 0 | 0 | 112.7 | W379 S383 | W379-F385 AromaticContact CE3-CD1 3.84Å; W379-F385 HydrophobicContact CE3-CD1 3.84Å; W379-F385 AromaticContact CE3-CE1 3.56Å; W379-F385 HydrophobicContact CE3-CE1 3.56Å; W379-F385 HydrophobicContact CE3-CZ 4.18Å; W379-F385 HydrophobicContact CZ3-CD1 4.26Å; W379-F385 AromaticContact CZ3-CE1 3.89Å; W379-F385 HydrophobicContact CZ3-CE1 3.89Å; W379-F385 HydrophobicContact CZ3-CZ 4.06Å; S383-F385 PolarHBondContact O-N 3.2Å; S383-F385 PolarHBondContact OG-N 3.11Å |
| 386 | W | 54.2 | Low | 49.8 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.2 | -20 | 179.2 | -63.3 | 112.4 | 0 | 0 | 0 | 113.5 | W379 G380 S383 S384 Y388 | W379-W386 PolarHBondContact O-NE1 3.05Å; G380-W386 VanDerWaalsContact O-CD1 3.25Å; S383-W386 PolarHBondContact O-N 3.04Å; S384-W386 VanDerWaalsContact C-N 3.3Å; W386-Y388 PolarHBondContact O-N 3.42Å |
| 387 | D | 52.2 | Low | 49.4 | Very low | 137 Ų | 137 | 115.4 Ų | 115.4 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | | | trans | -86.1 | 57 | -175 | -121.5 | 8.2 | 0 | 0 | 0 | 111.7 | | |
| 388 | Y | 43 | Very low | 48.8 | Very low | 193 Ų | 193 | 117.9 Ų | 117.9 | 76% | 0.757 | 64% | 0.637 | S | S | * | * | | | trans | -97.2 | 96.8 | 169.4 | -87.6 | -79.8 | 0 | 0 | 0 | 110.5 | W386 I390 | W386-Y388 PolarHBondContact O-N 3.42Å; Y388-I390 PolarHBondContact O-N 2.97Å |
| 389 | D | 46.9 | Very low | 47.8 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | | | trans | -61.5 | 112.5 | 165.9 | -155.7 | -5.2 | 0 | 0 | 0 | 108.7 | D391 | D389-D391 PolarHBondContact O-N 3.45Š|
| 390 | I | 52.2 | Low | 46.7 | Very low | 132 Ų | 132 | 126 Ų | 126 | 68% | 0.677 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -81.7 | -2.3 | -162.7 | -149.8 | 169.6 | 0 | 0 | 0 | 113.4 | Y388 | Y388-I390 PolarHBondContact O-N 2.97Š|
| 391 | D | 42.6 | Very low | 45.7 | Very low | 127 Ų | 127 | 128 Ų | 128 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | | | trans | -116.7 | 61 | -175.6 | -70.9 | -33.6 | 0 | 0 | 0 | 111.7 | D389 | D389-D391 PolarHBondContact O-N 3.45Š|
| 392 | S | 43.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | | | trans | -154.5 | 129.3 | 151.2 | -92.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 393 | T | 38.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | | | trans | -30.5 | 149.1 | 166.3 | 54.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 394 | R | 39.9 | Very low | 43.6 | Very low | 222 Ų | 222 | 146 Ų | 146 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | 94.4 | 99.1 | 169.5 | -58.9 | -179.8 | 168.3 | 119.8 | -2 | 115.3 | L396 | R394-L396 PolarHBondContact O-N 3.42Å; R394-L396 VanDerWaalsContact O-N 3.11Å |
| 395 | G | 35.9 | Very low | 42.8 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | -69.2 | 100.2 | 163 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 396 | L | 43.9 | Very low | 42 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -136.5 | 137.6 | 153.1 | -58.7 | 172.6 | 0 | 0 | 0 | 102.2 | R394 | R394-L396 PolarHBondContact O-N 3.42Å; R394-L396 VanDerWaalsContact O-N 3.11Å |
| 397 | F | 43.1 | Very low | 41.2 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 77% | 0.772 | 79% | 0.791 | S | S | * | * | | | | -160.3 | 126.2 | 55.3 | -80.1 | -91.2 | 0 | 0 | 0 | 110.9 | | |
| 398 | L | 42.9 | Very low | 40.8 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -158.6 | 46.1 | 148.2 | -120.4 | 144.7 | 0 | 0 | 0 | 110.5 | | |
| 399 | H | 40 | Very low | 40.4 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -135.2 | 80.3 | 171 | -90.5 | -77.1 | 0 | 0 | 0 | 110.1 | G401 | H399-G401 PolarHBondContact O-N 3.38Š|
| 400 | H | 35.2 | Very low | 40.7 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | | | trans | -75.6 | 77.4 | 153.3 | -82.4 | -77.1 | 0 | 0 | 0 | 108.3 | | |
| 401 | G | 37.6 | Very low | 40.1 | Very low | 56 Ų | 56 | 145.2 Ų | 145.2 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | | | trans | -135 | 115.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | H399 F403 | H399-G401 PolarHBondContact O-N 3.38Å; G401-F403 PolarHBondContact O-N 3.46Å |
| 402 | R | 34 | Very low | 40.2 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | | | trans | -62.9 | 129.9 | -178.3 | -59.2 | 178 | 176.2 | -160.2 | -2.6 | 109.9 | | |
| 403 | F | 37.4 | Very low | 39.8 | Very low | 217 Ų | 217 | 143.2 Ų | 143.2 | 95% | 0.952 | 81% | 0.805 | S | S | * | * | | | trans | -167.5 | 127.8 | 131.3 | -104.6 | -71.7 | 0 | 0 | 0 | 108.9 | G401 | G401-F403 PolarHBondContact O-N 3.46Š|
| 404 | A | 36.1 | Very low | 40 | Very low | 102 Ų | 102 | 144 Ų | 144 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -124.4 | 138.3 | 168 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 405 | G | 40.2 | Very low | 39.8 | Very low | 63 Ų | 63 | 139.9 Ų | 139.9 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | | | trans | 153.1 | 110.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 406 | D | 43.3 | Very low | 40.1 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | 57.5 | 110 | 143.2 | -50.1 | -16.3 | 0 | 0 | 0 | 118 | | |
| 407 | E | 37.7 | Very low | 39.8 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | | 87.3 | 159.7 | 74 | -98.4 | -129.6 | 114 | 0 | 0 | 113.9 | | |
| 408 | A | 43.1 | Very low | 39.8 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | 64.1 | 107 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 409 | G | 35.5 | Very low | 39.9 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -93.1 | 178.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 410 | I | 52.5 | Low | 40 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -144.7 | 113.2 | 157.4 | 36.5 | 168.3 | 0 | 0 | 0 | 109.7 | | |
| 411 | N | 38.5 | Very low | 40.6 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | | | trans | -84 | 106.5 | 157.6 | -67.3 | -49.4 | 0 | 0 | 0 | 106.8 | | |
| 412 | T | 45.9 | Very low | 40.8 | Very low | 107 Ų | 107 | 129 Ų | 129 | 66% | 0.656 | 81% | 0.806 | S | S | * | * | | | trans | -135.2 | 118.1 | 174.1 | -28.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 413 | A | 35 | Very low | 41.4 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -71.9 | 130.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 414 | T | 42.1 | Very low | 42.1 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -98.4 | 81 | 165.8 | -61.1 | 0 | 0 | 0 | 0 | 109 | A416 | T414-A416 HydrophobicContact CG2-CB 4.36Š|
| 415 | T | 36.8 | Very low | 43 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -89.6 | 104.5 | 152.9 | -64.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 416 | A | 40.7 | Very low | 43.3 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -101 | 113.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T414 | T414-A416 HydrophobicContact CG2-CB 4.36Š|
| 417 | A | 37.4 | Very low | 43.7 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -77.4 | 141.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 418 | A | 43.7 | Very low | 44.4 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -131.5 | 101.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 419 | T | 46.2 | Very low | 44.8 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | | | trans | -45.4 | 146.2 | 174.8 | -47.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 420 | G | 41.5 | Very low | 45.4 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | | | trans | 151.6 | 85.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 421 | T | 47.9 | Very low | 45.4 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | 67.5 | 94.6 | 145.6 | -37.8 | 0 | 0 | 0 | 0 | 119 | | |
| 422 | D | 41.5 | Very low | 46.1 | Very low | 124 Ų | 124 | 122 Ų | 122 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | | | trans | -63.8 | 142.7 | 158.6 | -176.6 | 11.2 | 0 | 0 | 0 | 112.8 | | |
| 423 | M | 47.1 | Very low | 46.1 | Very low | 167 Ų | 167 | 121 Ų | 121 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | | | trans | -167.8 | 128.2 | 147.3 | -93.8 | -50.2 | 101.6 | 0 | 0 | 109.7 | | |
| 424 | P | 51 | Low | 46.7 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -102.3 | 167.3 | -173.4 | 39.4 | -36.7 | 0 | 0 | 0 | 114.1 | | |
| 425 | C | 54.3 | Low | 47.2 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | -174 | 139.9 | 137.8 | -105.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 426 | D | 46.6 | Very low | 47.9 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -76.2 | 142.2 | 179.6 | -53.4 | -93.4 | 0 | 0 | 0 | 114.1 | | |
| 427 | H | 52.6 | Low | 48.7 | Very low | 187 Ų | 187 | 121.5 Ų | 121.5 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | | -166.8 | 136.6 | 129.9 | -127.3 | -80.1 | 0 | 0 | 0 | 113.2 | | |
| 428 | V | 51.6 | Low | 49.4 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -92.4 | 146.3 | 160.1 | -135.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 429 | P | 51.5 | Low | 50 | Low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | -156.2 | 145.8 | 88 | 39.2 | -18.9 | 0 | 0 | 0 | 118.4 | | |
| 430 | V | 49.1 | Very low | 50.4 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | | | | 53 | 95.5 | 127.6 | -176.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 431 | T | 51.3 | Low | 51.1 | Low | 127 Ų | 127 | 128.2 Ų | 128.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | 67.2 | 173.2 | 134.3 | 72 | 0 | 0 | 0 | 0 | 120.6 | | |
| 432 | P | 55 | Low | 51.3 | Low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | -138.3 | -176.7 | -69.6 | 43 | -26.6 | 0 | 0 | 0 | 115.3 | | |
| 433 | A | 44.8 | Very low | 51.8 | Low | 85 Ų | 85 | 128.4 Ų | 128.4 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | 87.7 | 143.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 434 | S | 48.8 | Very low | 52.5 | Low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | 67.4 | 141.9 | 163.4 | -56.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 435 | S | 50.7 | Low | 52.8 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -162.5 | -176.5 | -12.5 | 65.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 436 | S | 52.2 | Low | 53.1 | Low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | cis | -158.6 | 154.8 | 4.5 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 437 | S | 57 | Low | 54 | Low | 122 Ų | 122 | 126.5 Ų | 126.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -115.3 | 133.8 | 167.6 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 438 | P | 52.6 | Low | 54.5 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | trans | -94.6 | 140.8 | 176.8 | 35.2 | -31.1 | 0 | 0 | 0 | 111.6 | | |
| 439 | L | 57.4 | Low | 54.9 | Low | 182 Ų | 182 | 125.2 Ų | 125.2 | 95% | 0.953 | 76% | 0.763 | S | S | * | * | | | trans | -159.3 | 144.9 | 150.3 | -110.3 | 163.3 | 0 | 0 | 0 | 112.3 | | |
| 440 | H | 54.1 | Low | 55.7 | Low | 174 Ų | 174 | 127.7 Ų | 127.7 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -78.1 | 156.5 | -160 | -153 | 78.1 | 0 | 0 | 0 | 114.7 | | |
| 441 | S | 56.1 | Low | 56.5 | Low | 79 Ų | 79 | 128.3 Ų | 128.3 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | | | trans | 116.6 | 105.9 | 131 | -160 | 0 | 0 | 0 | 0 | 120.7 | | |
| 442 | Q | 51.3 | Low | 57.1 | Low | 166 Ų | 166 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 72.6 | 110.9 | 137.4 | -66.6 | 177.3 | 71.8 | 0 | 0 | 122.2 | | |
| 443 | S | 52.5 | Low | 57.2 | Low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | | 50.7 | 143.9 | 115.4 | -57.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 444 | P | 62.3 | Low | 57.9 | Low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | cis | -144 | 168.8 | 45 | 24.7 | 1.4 | 0 | 0 | 0 | 119.6 | | |
| 445 | H | 57.9 | Low | 58.4 | Low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | | | trans | 17.6 | 135.5 | 146.2 | -39.5 | -58.4 | 0 | 0 | 0 | 119.6 | | |
| 446 | S | 59.5 | Low | 58.8 | Low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | | -175.5 | 173.8 | 57.6 | -108 | 0 | 0 | 0 | 0 | 112.7 | | |
| 447 | P | 65.2 | Low | 59.2 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -109.4 | 176.9 | -155.5 | 42.2 | -37.3 | 0 | 0 | 0 | 116.1 | | |
| 448 | S | 63.7 | Low | 59.4 | Low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 172.2 | 162.1 | 124.4 | -157.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 449 | F | 60.2 | Low | 59.9 | Low | 176 Ų | 176 | 145.8 Ų | 145.8 | 77% | 0.772 | 79% | 0.789 | S | S | * | * | | | trans | 65.7 | 112.9 | 173.4 | -90.3 | -98 | 0 | 0 | 0 | 118.2 | | |
| 450 | M | 67.2 | Low | 60.1 | Low | 164 Ų | 164 | 143 Ų | 143 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | | 59.6 | 113.7 | 61.2 | -88.7 | 80.6 | 164.3 | 0 | 0 | 114.6 | | |
| 451 | D | 65.7 | Low | 60.6 | Low | 128 Ų | 128 | 140.4 Ų | 140.4 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | | -166.1 | 158 | 94 | -131.6 | -29.9 | 0 | 0 | 0 | 113.4 | | |
| 452 | H | 65.2 | Low | 61 | Low | 249 Ų | 249 | 146 Ų | 146 | 100% | 1.153 | 79% | 0.794 | S | S | * | * | | | trans | 56.9 | 0 | 169.8 | -64.1 | -51 | 0 | 0 | 0 | 121.7 | | |